Molecule

ID:19569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H14ClNO/c1-2-3-7-13-10-8(11)5-4-6-9(10)12/h4-6H,2-3,7,12H2,1H3
InChIKey
JIVQJKQXZRVSKG-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1c(N)cccc1Cl
Isomeric Smiles
c1(c(N)cccc1Cl)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9075344
LogD (pH = 7.4)
2.9145026
Log P
2.9145923
Molar Refractivity
55.9
Polarizability
21.396204
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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