Molecule

ID:46509

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-12-6-2-3-8-14(12)16-11-9-13-7-4-5-10-15-13;/h2-3,6,8,13,15H,4-5,7,9-11H2,1H3;1H
InChIKey
JQZRJAVWRLWVRL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2c(C)cccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29084927
LogD (pH = 7.4)
0.30205333
Log P
2.9346855
Molar Refractivity
66.9644
Polarizability
26.48458
Polar Surface Area
21.26
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