Molecule

ID:18807

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-4,10H,5-7,11H2;1H
InChIKey
GCESJUUFORTUCK-UHFFFAOYSA-N
Canonic Smiles
NCC1OCCc2c1cccc2.Cl
Isomeric Smiles
c12C(OCCc1cccc2)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7596017
LogD (pH = 7.4)
-0.4643135
Log P
1.1516943
Molar Refractivity
48.5547
Polarizability
19.108198
Polar Surface Area
35.25
Rotatable Bonds
1
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