Molecule

ID:76344

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClN₃O
Molecular Mass
237.68548
Exact Mass
237.0668897
Charge
0
InChI
InChI=1S/C11H11N3O.ClH/c12-7-9-1-3-10(4-2-9)15-11-8-13-5-6-14-11;/h1-6,8H,7,12H2;1H
InChIKey
CEJCKEVEIICYPV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1nccnc1.Cl
Isomeric Smiles
n1c(cncc1)Oc1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.226119
LogD (pH = 7.4)
-1.2609302
Log P
0.7584141
Molar Refractivity
56.7719
Polarizability
22.230255
Polar Surface Area
61.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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