Molecule

ID:46418

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-8(2)6-11-7-9-3-4-10-5-9;/h9-10H,1,3-7H2,2H3;1H
InChIKey
YVOQXNAFJKYWKC-UHFFFAOYSA-N
Canonic Smiles
CC(=C)COCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCC(=C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4399703
LogD (pH = 7.4)
-2.3333583
Log P
0.80050755
Molar Refractivity
46.7318
Polarizability
18.561886
Polar Surface Area
21.26
Rotatable Bonds
4
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