Molecule

ID:77203

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN
Molecular Mass
187.70962
Exact Mass
187.11277726
Charge
0
InChI
InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H/t7-,8?,9?,10?;
InChIKey
WOLHOYHSEKDWQH-MHYLRVQGSA-N
Canonic Smiles
NC12CC3C[C@@H](C2)CC(C1)C3.Cl
Isomeric Smiles
C12C[C@@H]3CC(C1)CC(C2)(C3)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5643042
LogD (pH = 7.4)
-1.3837394
Log P
1.4659475
Molar Refractivity
45.5356
Polarizability
18.504875
Polar Surface Area
26.02
Rotatable Bonds
0
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