Molecule

ID:79461

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO
Molecular Mass
182.64674
Exact Mass
182.04984265
Charge
0
InChI
InChI=1S/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3
InChIKey
NZYPCJXREKMMCJ-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
O=C(c1ccc(cc1)CCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5667171
LogD (pH = 7.4)
3.5667171
Log P
3.5667171
Molar Refractivity
51.4159
Polarizability
19.514402
Polar Surface Area
17.07
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