Name: (6R)-7-amino-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES:
CC1C=C(N2C(S1)C(C2=O)N)C(=O)OMolecular Processing
Molecular formula
C8H10N2O3S
Molecular weight
214.25
Exact mass
214.0412
XLogP
-0.41
TPSA
83.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
51.38
Supplementary Information
InChIKey: ILYFQIRZHAPFLB-MBOVBSECSA-N
Synonyme
SCHEMBL10678239ILYFQIRZHAPFLB-MBOVBSECSA-N2-methyl-7-amino-3-cephem-4-carboxylic acid7-amino-2-methyl-3-cephem-4-carboxylic acid
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