Molecule

ID:103625

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃NO
Molecular Mass
271.31262
Exact Mass
271.09971404
Charge
0
InChI
InChI=1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
InChIKey
WWVFJJKBBZXWFV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1cnc(o1)c1cccc2c1cccc2
Isomeric Smiles
o1c(cnc1c1c2ccccc2ccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4966063
LogD (pH = 7.4)
4.4966106
Log P
4.4966106
Molar Refractivity
93.3329
Polarizability
35.31504
Polar Surface Area
26.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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