Molecule

ID:35291

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c1-3-13-4-6-14(7-5-13)17-15(11-20)19-9-8-12(2)10-16(19)18-17/h4-11H,3H2,1-2H3
InChIKey
VTCFTPNMNKFMBL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)CC
Isomeric Smiles
n12c(nc(c1C=O)c1ccc(cc1)CC)cc(cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.877842
LogD (pH = 7.4)
3.8962994
Log P
3.89654
Molar Refractivity
81.8455
Polarizability
31.562632
Polar Surface Area
34.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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