Molecule

ID:24777

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
InChIKey
LXQMHOKEXZETKB-UHFFFAOYSA-N
Canonic Smiles
NCC(O)(C)C
Isomeric Smiles
C(O)(CN)(C)C
Calculated Properties
JChem
Acid pKa
15.039341
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.620115
LogD (pH = 7.4)
-2.8110626
Log P
-0.61840916
Molar Refractivity
25.2681
Polarizability
10.242338
Polar Surface Area
46.25
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