이름: 3-(2-dimethylamino-vinyl)-2,6-dinitro-benzoic acid ethyl ester
SMILES:
CCOC(=O)c1c([N+](=O)[O-])ccc(C=CN(C)C)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H15N3O6
Molecular weight
309.28
Exact mass
309.0961
XLogP
2.21
TPSA
115.82
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78.43
Supplementary Information
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