Molecule

ID:36929

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c18-12-11-17(20)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11,13-14H2
InChIKey
XCGXLOKKKTYKSU-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)N(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
c1ccc(CN(C(=O)CC#N)Cc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
12.410577
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8161874
LogD (pH = 7.4)
2.816183
Log P
2.8161874
Molar Refractivity
78.8079
Polarizability
30.186934
Polar Surface Area
44.1
Rotatable Bonds
5
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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