Molecule

ID:84783

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7?,10-/m1/s1
InChIKey
LHXDLQBQYFFVNW-OMNKOJBGSA-N
Canonic Smiles
O=C1[C@]2(C)CCC(C1(C)C)C2
Isomeric Smiles
O=C1[C@]2(CC(C1(C)C)CC2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.06492
LogD (pH = 7.4)
3.06492
Log P
3.06492
Molar Refractivity
44.5438
Polarizability
17.763361
Polar Surface Area
17.07
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