Molecule

ID:82028

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-9-4-3-7-5-8(9)11-6-10(7,9)2/h7-8H,3-6H2,1-2H3
InChIKey
YYHDKTIFENWCAS-UHFFFAOYSA-N
Canonic Smiles
CC12CCC3C2(C)COC1C3
Isomeric Smiles
O1CC2(C3(C1CC2CC3)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8703903
LogD (pH = 7.4)
1.8703903
Log P
1.8703903
Molar Refractivity
43.5789
Polarizability
17.653168
Polar Surface Area
9.23
Rotatable Bonds
0
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