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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
56
Total Number of Articles : 156
|
| PubChem |
294641
|
| Molecular Formula |
C5H7ClN2O3 |
| SMILES |
C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N |
| InChI |
InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1 |
| synonyms |
- acivicin
- 42228-92-2
- Antibiotic AT 125
- AT-125
- Acivicine
- AT 125
- Acivicino
- Acivicinum
- NSC-163501
- ACIA
- NSC 163501
- U 42126
- U-42,126
- NSC163501
- (2S)-2-Amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
- (alphaS,5S)-alpha-Amino-3-chloro-2-isoxazoline-5-acetic acid
- U-42126
- U 42,126
- DTXSID0046010
- CHEBI:74545
- (S)-2-Amino-2-((S)-3-chloro-4,5-dihydroisoxazol-5-yl)acetic acid
- O0X60K76I6
- (alpha-S,5S)-alpha-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
- (2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid
- Acivicin [USAN:INN]
- Acivicine [INN-French]
- Acivicinum [INN-Latin]
- Acivicino [INN-Spanish]
- UNII-O0X60K76I6
- NCGC00095996-01
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| Properties |
| Property |
Value |
| MW |
178.57 g/mol |
| HBD |
2 |
| HBA |
5 |
| Rotatable Bond Count |
2 |
| Exact Mass |
178.0145198 g/mol |
| Monoisotopic Mass |
178.0145198 g/mol |
| Heavy Atom Count |
11 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
206 |
| xlogp |
-2.7 |
| Topological Polar Surface Area |
84.9 |
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