Molecule

ID:51431

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
InChIKey
HDOWRFHMPULYOA-UHFFFAOYSA-N
Canonic Smiles
OC1CCNCC1
Isomeric Smiles
N1CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.180221
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.073909
LogD (pH = 7.4)
-3.1523435
Log P
-0.87481886
Molar Refractivity
28.4177
Polarizability
11.356206
Polar Surface Area
32.26
Rotatable Bonds
0
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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