Molecule

ID:77911

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H
InChIKey
SLIKWVTWIGHFJE-UHFFFAOYSA-N
Canonic Smiles
N#C/N=C(\Oc1ccccc1)/Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)/C(=N\C#N)/Oc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.07461
LogD (pH = 7.4)
4.07461
Log P
4.07461
Molar Refractivity
66.5043
Polarizability
25.514763
Polar Surface Area
54.61
Rotatable Bonds
4
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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