Molecule

ID:35313

General Information
Structure
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c1-11-6-7-12(2)14(9-11)16-15(10-20)19-8-4-5-13(3)17(19)18-16/h4-10H,1-3H3
InChIKey
GUMWJKVVLDPHFF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cccc2C)c1cc(C)ccc1C
Isomeric Smiles
c1(nc2n(c1C=O)cccc2C)c1c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9357498
LogD (pH = 7.4)
3.9650059
Log P
3.9653928
Molar Refractivity
82.2857
Polarizability
31.482681
Polar Surface Area
34.37
Rotatable Bonds
2
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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