Molecule

ID:136358

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
InChIKey
MIJDSYMOBYNHOT-UHFFFAOYSA-N
Canonic Smiles
OCCNCC
Isomeric Smiles
CCNCCO
Calculated Properties
JChem
Acid pKa
15.602251
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7382336
LogD (pH = 7.4)
-2.9450405
Log P
-0.5261725
Molar Refractivity
25.7343
Polarizability
10.242338
Polar Surface Area
32.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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