Name: 4-Amino-2-methyl-3-nitrobenzoic acid
SMILES:
Cc1c(C(=O)O)ccc(N)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H8N2O4
Molecular weight
196.16
Exact mass
196.0484
XLogP
1.18
TPSA
106.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.21
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→