Molecule
ID:80299
General Information
Molecular Formula
C₁₂H₂₂O
Molecular Mass
182.30248
Exact Mass
182.16706532
Charge
0
InChI
InChI=1S/C12H22O/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-10H2,1-2H3
InChIKey
RPZMJERYWZOQJX-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCC)CCC(=O)CC1
Isomeric Smiles
O=C1CCC(CC1)(CCC)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8535352
LogD (pH = 7.4)
3.8535352
Log P
3.8535352
Molar Refractivity
55.6751
Polarizability
22.187208
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...