Molecule

ID:58962

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-12-7-4-10(5-8-12)3-2-6-11-9(10)13/h2-8H2,1H3,(H,11,13)
InChIKey
TUTQURBVZPSVFU-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2(CC1)CCCNC2=O
Isomeric Smiles
C12(CCN(CC1)C)C(=O)NCCC2
Calculated Properties
JChem
Acid pKa
14.869706
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0130599
LogD (pH = 7.4)
-1.4383733
Log P
0.20706365
Molar Refractivity
52.4593
Polarizability
20.424976
Polar Surface Area
32.34
Rotatable Bonds
0
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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