Molecule

ID:19637

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H20ClNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKey
KZCCHVLYYVDGBZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCCC1CCCCC1
Isomeric Smiles
c1(cc(ccc1OCCC1CCCCC1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.065905
LogD (pH = 7.4)
4.0715194
Log P
4.0715914
Molar Refractivity
72.4494
Polarizability
28.004814
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