Molecule

ID:62454

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H17ClN2O/c1-10-4-2-5-11-8-12(9-16-6-3-7-18)14(15)17-13(10)11/h2,4-5,8,16,18H,3,6-7,9H2,1H3
InChIKey
CWOLMRXPEPEQJM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1nc(Cl)c(c2)CNCCCO
Isomeric Smiles
n1c(c(cc2c1c(ccc2)C)CNCCCO)Cl
Calculated Properties
JChem
Acid pKa
15.933823
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.3934999
LogD (pH = 7.4)
1.2860494
Log P
2.3967502
Molar Refractivity
75.2923
Polarizability
30.15155
Polar Surface Area
45.15
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