Molecule

ID:76328

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClN₂O
Molecular Mass
236.69742
Exact Mass
236.07164073
Charge
0
InChI
InChI=1S/C12H12N2O.ClH/c13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14-12;/h1-8H,9,13H2;1H
InChIKey
QXYPTTVWSCSOCK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1Oc1ccccn1.Cl
Isomeric Smiles
O(c1c(cccc1)CN)c1ccccn1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9554564
LogD (pH = 7.4)
0.27664328
Log P
1.9760865
Molar Refractivity
58.9288
Polarizability
23.138828
Polar Surface Area
48.14
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation