Molecule

ID:68083

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3
InChIKey
ZPGVCQYKXIQWTP-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc2c1ccc1c2nccc1OC
Isomeric Smiles
c12c(ccc3c(ccnc13)OC)c(ccn2)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.949798
LogD (pH = 7.4)
1.9729091
Log P
1.9732126
Molar Refractivity
66.827
Polarizability
28.65856
Polar Surface Area
44.24
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
No Data Available
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Molecule Details
References
Bioactivity
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