Molecule

ID:12901

General Information
Structure
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,15H2,1H3
InChIKey
CZSVPGARXVXXOX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nc2c(o1)ccc(c2)N
Isomeric Smiles
c1c(cc2c(c1)oc(n2)c1ccc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.357131
LogD (pH = 7.4)
2.358027
Log P
2.3580384
Molar Refractivity
78.9883
Polarizability
27.773842
Polar Surface Area
61.28
Rotatable Bonds
2
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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