COc1ccc([N+](=O)[O-])c2ccn(C(C)C)c12
名称: 1-isopropyl-7-methoxy-4-nitro-1H-indole
SMILES: COc1ccc([N+](=O)[O-])c2ccn(C(C)C)c12

Molecular Processing

Molecular formula
C12H14N2O3
Molecular weight
234.25
Exact mass
234.1004
XLogP
3.14
TPSA
57.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
65.53

Supplementary Information

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