Molecule

ID:20336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-3-6-12-10-5-4-9(11)7-8(10)2;/h4-5,7H,3,6,11H2,1-2H3;1H
InChIKey
DXSNQRIUGOAKSD-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C)N.Cl
Isomeric Smiles
c1(c(ccc(c1)N)OCCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1260614
LogD (pH = 7.4)
2.3750722
Log P
2.3794003
Molar Refractivity
51.5354
Polarizability
19.440758
Polar Surface Area
35.25
Rotatable Bonds
3
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