Molecule

ID:80396

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
InChIKey
CYHOMWAPJJPNMW-UHFFFAOYSA-N
Canonic Smiles
OC1C[C@H]2CC[C@H](C1)N2C
Isomeric Smiles
OC1C[C@@H]2N([C@@H](C1)CC2)C
Calculated Properties
JChem
Acid pKa
15.160811
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3879304
LogD (pH = 7.4)
-2.2382734
Log P
0.033560663
Molar Refractivity
40.5938
Polarizability
16.15159
Polar Surface Area
23.47
Rotatable Bonds
0
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