Molecule

ID:12916

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-2-10-3-8-14-13(9-10)17-15(18-14)11-4-6-12(16)7-5-11/h3-9H,2,16H2,1H3
InChIKey
ODZPTRODOSVYCM-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)nc(o2)c1ccc(cc1)N
Isomeric Smiles
c1c(cc2c(c1)oc(n2)c1ccc(cc1)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4728193
LogD (pH = 7.4)
3.4736886
Log P
3.4736998
Molar Refractivity
82.1673
Polarizability
28.911894
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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