이름: 4-(aminocarbonyl)-2-methyl-5-{[(1R)-1-methylpropyl]amino}benzoic acid
SMILES:
CC[C@@H](C)Nc1cc(C(=O)O)c(C)cc1C(N)=OMolecular Processing
Molecular formula
C13H18N2O3
Molecular weight
250.3
Exact mass
250.1317
XLogP
2
TPSA
92.42
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
70.03
Supplementary Information
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