Molecule

ID:63643

General Information
Structure
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c1-12-8-9-16(13(2)10-12)19-17(20)11-15(18-19)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey
WRZVVRSAOFCMJO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)N1N=C(CC1=O)c1ccccc1
Isomeric Smiles
Cc1cc(C)c(N2N=C(c3ccccc3)CC2=O)cc1
Calculated Properties
JChem
Acid pKa
13.587275
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9781568
LogD (pH = 7.4)
3.9781566
Log P
3.978157
Molar Refractivity
79.8409
Polarizability
30.160543
Polar Surface Area
32.67
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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