Molecule
ID:121934
General Information
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)17-14(19-15)12-6-2-1-3-7-12/h1-10H/b13-9+
InChIKey
VLVHAYVBYFGEEF-UKTHLTGXSA-N
Canonic Smiles
O=C1OC(=N/C/1=C/c1cccnc1)c1ccccc1
Isomeric Smiles
N1=C(OC(=O)/C/1=C\c1cnccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5681193
LogD (pH = 7.4)
2.6219628
Log P
2.6227057
Molar Refractivity
71.6717
Polarizability
26.96013
Polar Surface Area
51.55
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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