Molecule

ID:19063

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-8H,12H2
InChIKey
TXZXPJOTSAXPBZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1cccnc1
Isomeric Smiles
c1(Oc2cnccc2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3792605
LogD (pH = 7.4)
1.4262941
Log P
1.4269346
Molar Refractivity
54.8423
Polarizability
20.902182
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation