Molecule

ID:17154

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
InChIKey
ZSLIXJKSPVCNHZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccnc1
Isomeric Smiles
c1(Oc2cccnc2)ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3606343
LogD (pH = 7.4)
1.4260414
Log P
1.4269346
Molar Refractivity
54.8423
Polarizability
20.900103
Polar Surface Area
48.14
Rotatable Bonds
2
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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