Molecule

ID:44341

General Information
Structure
Molecular Formula
C₉H₁₇NO
Molecular Mass
155.23738
Exact Mass
155.13101417
Charge
0
InChI
InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3
InChIKey
OCNWYKFGWLGNHZ-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCC(=O)CC1
Isomeric Smiles
N1(CCC(=O)CC1)CCCC
Calculated Properties
JChem
Acid pKa
17.825996
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.589412
LogD (pH = 7.4)
1.0848647
Log P
1.4970318
Molar Refractivity
46.3371
Polarizability
18.177366
Polar Surface Area
20.31
Rotatable Bonds
3
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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