COc1ccc2[nH]c(/C=C/c3ccc([N+](=O)[O-])cc3Br)cc2c1
名称: 5-methoxy-2-[(E,Z)-2-phenylethenyl]-1H-indole
SMILES: COc1ccc2[nH]c(/C=C/c3ccc([N+](=O)[O-])cc3Br)cc2c1

Molecular Processing

Molecular formula
C17H13BrN2O3
Molecular weight
373.21
Exact mass
372.011
XLogP
5.02
TPSA
68.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
94.58

Supplementary Information

No supplementary data available

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