Molecule

ID:3735

General Information
Structure
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Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKey
FEWLNYSYJNLUOO-UHFFFAOYSA-N
Canonic Smiles
O=CN1CCCCC1
Isomeric Smiles
O=CN1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.21873112
LogD (pH = 7.4)
0.21873122
Log P
0.21873122
Molar Refractivity
31.9108
Polarizability
12.265093
Polar Surface Area
20.31
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.21
LOG S
0.4
Solubility (Water)
2.82e+02 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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