Molecule

ID:67403

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3
InChIKey
AHOJTPZHHMJMCW-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)O
Isomeric Smiles
N1(CCC(CC1)O)CC
Calculated Properties
JChem
Acid pKa
15.179291
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4596465
LogD (pH = 7.4)
-2.0300074
Log P
-0.13496299
Molar Refractivity
38.461
Polarizability
15.038956
Polar Surface Area
23.47
Rotatable Bonds
1
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