Molecule
ID:114320
General Information
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-11-7-10(12-8-13-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,12,13,14)
InChIKey
JCPZGLWRQNPRGS-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc(c1)Cc1ccccc1
Isomeric Smiles
n1c(cc(nc1)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
12.390063
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3063343
LogD (pH = 7.4)
2.3063333
Log P
2.3063376
Molar Refractivity
54.3301
Polarizability
20.499275
Polar Surface Area
46.01
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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