이름: 4-Amino-3-chloro-5-nitro-2-phenylamino-benzoic acid methyl ester
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(N)c(Cl)c1Nc1ccccc1Molecular Processing
Molecular formula
C14H12ClN3O4
Molecular weight
321.72
Exact mass
321.0516
XLogP
3.36
TPSA
107.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
83.58
Supplementary Information
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