Molecule

ID:19643

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H16ClNO/c1-8(2)5-6-14-11-4-3-9(12)7-10(11)13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKey
YKNIUCDRTHQHPS-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1N)Cl)C
Isomeric Smiles
c1(cc(ccc1OCCC(C)C)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1964247
LogD (pH = 7.4)
3.2015457
Log P
3.2016113
Molar Refractivity
60.4486
Polarizability
23.209639
Polar Surface Area
35.25
Rotatable Bonds
4
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