Molecule

ID:13315

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇NO
Molecular Mass
131.21598
Exact Mass
131.13101417
Charge
0
InChI
InChI=1S/C7H17NO/c1-6(2)4-8-5-7(3)9/h6-9H,4-5H2,1-3H3
InChIKey
UGDKQUJYHXHKDT-UHFFFAOYSA-N
Canonic Smiles
CC(CNCC(O)C)C
Isomeric Smiles
N(CC(C)C)CC(C)O
Calculated Properties
JChem
Acid pKa
15.296705
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4519417
LogD (pH = 7.4)
-1.9513394
Log P
0.7778977
Molar Refractivity
39.1487
Polarizability
15.770842
Polar Surface Area
32.26
Rotatable Bonds
4
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