C=CCOC1=C2C=C(C=CC2=CC(=C1)C3=CC=CC=C3)[N+](=O)[O-]
Name: 7-nitro-3-phenyl-1-prop-2-enoxynaphthalene
SMILES: C=CCOC1=C2C=C(C=CC2=CC(=C1)C3=CC=CC=C3)[N+](=O)[O-]

Molecular Processing

Molecular formula
C19H15NO3
Molecular weight
305.33
Exact mass
305.1052
XLogP
4.98
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
91.73

Supplementary Information

InChIKey: PBQLAXJDJWOKHJ-UHFFFAOYSA-N
Synonyme
SCHEMBL10899399PBQLAXJDJWOKHJ-UHFFFAOYSA-N1-Allyloxy-3-phenyl-7-nitronaphthalene1-Allyloxy-3-phenyl-7-nitro-naphthalene
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