Molecule

ID:119033

General Information
Structure
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h6H,2-5,7-8H2,1H3/b9-6-
InChIKey
YZKUNNFZLUCEET-TWGQIWQCSA-N
Canonic Smiles
CCCC/C=C\1/CCCC1=O
Isomeric Smiles
C\1(=C/CCCC)/C(=O)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2152743
LogD (pH = 7.4)
3.2152743
Log P
3.2152743
Molar Refractivity
47.5008
Polarizability
18.259748
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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