Molecule

ID:29262

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO
Molecular Mass
253.7677
Exact Mass
253.12334195
Charge
0
InChI
InChI=1S/C14H20ClNO/c1-11(10-16-13-4-2-3-5-13)17-14-8-6-12(15)7-9-14/h6-9,11,13,16H,2-5,10H2,1H3
InChIKey
MELXTMKTWCJGQC-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)Cl)CNC1CCCC1
Isomeric Smiles
N(CC(Oc1ccc(Cl)cc1)C)C1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.60748553
LogD (pH = 7.4)
1.3097559
Log P
3.8264928
Molar Refractivity
70.8824
Polarizability
28.38926
Polar Surface Area
21.26
Rotatable Bonds
5
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