Molecule

ID:120566

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3
InChIKey
FKDOOGCZVMKBIT-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2c(o1)ccc(c2)N
Isomeric Smiles
n1c(oc2c1cc(N)cc2)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.472601
LogD (pH = 7.4)
3.473686
Log P
3.4736998
Molar Refractivity
82.1673
Polarizability
28.909542
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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