Molecule

ID:75712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c1-2-6-16-8-11(15-14(16)3-1)10-4-5-12-13(7-10)18-9-17-12/h1-8H,9H2
InChIKey
AUEQNIMIOVYNJK-UHFFFAOYSA-N
Canonic Smiles
C1Oc2c(O1)ccc(c2)c1nc2n(c1)cccc2
Isomeric Smiles
n1c2n(cccc2)cc1c1ccc2c(c1)OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.053547
LogD (pH = 7.4)
2.4085133
Log P
2.4158585
Molar Refractivity
66.4675
Polarizability
26.70439
Polar Surface Area
35.76
Rotatable Bonds
1
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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