名称: 4-(5-methylcyclohexa-1,3-dienyl)-3-nitropyridine
SMILES:
CC1C=CC=C(c2ccncc2[N+](=O)[O-])C1Molecular Processing
Molecular formula
C12H12N2O2
Molecular weight
216.24
Exact mass
216.0899
XLogP
2.97
TPSA
56.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.79
Supplementary Information
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