C1CC1C2=C(C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3
Name: 2-cyclopropyl-5-nitro-3-phenylpyridine
SMILES: C1CC1C2=C(C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3

Molecular Processing

Molecular formula
C14H12N2O2
Molecular weight
240.26
Exact mass
240.0899
XLogP
3.53
TPSA
56.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
68.3

Supplementary Information

InChIKey: NEEIOLIXFSDPSF-UHFFFAOYSA-N
Synonyme
SCHEMBL2405525NEEIOLIXFSDPSF-UHFFFAOYSA-N2-cyclopropyl-5-nitro-3-phenylpyridine
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