Molecule

ID:38350

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
InChIKey
BLFRQYKZFKYQLO-UHFFFAOYSA-N
Canonic Smiles
NCCCCO
Isomeric Smiles
C(CCCN)O
Calculated Properties
JChem
Acid pKa
15.972589
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7532248
LogD (pH = 7.4)
-3.1302938
Log P
-0.73823845
Molar Refractivity
25.7211
Polarizability
10.242338
Polar Surface Area
46.25
Rotatable Bonds
3
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
References
Bioactivity
Navigation