Molecule

ID:78506

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₅NO
Molecular Mass
297.3499
Exact Mass
297.11536411
Charge
0
InChI
InChI=1S/C21H15NO/c23-15-21-20(14-19-8-4-5-13-22(19)21)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-15H
InChIKey
VXQZXAROVXVMHY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(cc2n1cccc2)c1ccc(cc1)c1ccccc1
Isomeric Smiles
n12ccccc1cc(c2C=O)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.536714
LogD (pH = 7.4)
4.536714
Log P
4.536714
Molar Refractivity
94.8746
Polarizability
38.95215
Polar Surface Area
21.48
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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