이름: 7-amino-3-[1-(2-carbamoylethyl)tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acid
SMILES:
NC(=O)CCC(Sc1nnn[nH]1)C1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1Molecular Processing
Molecular formula
C12H15N7O4S2
Molecular weight
385.43
Exact mass
385.0627
XLogP
-1.49
TPSA
181.18
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.98
Supplementary Information
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