O=[N+]([O-])c1ccc(C2CC2)c2ccccc12
이름: 1-cyclopropyl-4-nitronaphthalene
SMILES: O=[N+]([O-])c1ccc(C2CC2)c2ccccc12

Molecular Processing

Molecular formula
C13H11NO2
Molecular weight
213.24
Exact mass
213.079
XLogP
3.63
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
62.58

Supplementary Information

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