Molecule

ID:86566

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c8-5-6-1-3-7-4-2-6/h5-7H,1-4H2
InChIKey
HRVXPXCISZSDCC-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCNCC1
Isomeric Smiles
N1CCC(CC1)C=O
Calculated Properties
JChem
Acid pKa
15.002543
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.500529
LogD (pH = 7.4)
-2.8471894
Log P
-0.2783841
Molar Refractivity
32.1499
Polarizability
12.650581
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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