Molecule

ID:62033

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O
Molecular Mass
182.26272
Exact Mass
182.14191321
Charge
0
InChI
InChI=1S/C10H18N2O/c1-8(13)12-6-9-4-2-3-5-11-10(9)7-12/h9-11H,2-7H2,1H3
InChIKey
DSIBUSHANFBFHH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CC2C(C1)CCCCN2
Isomeric Smiles
N1(C(=O)C)CC2C(C1)NCCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3164246
LogD (pH = 7.4)
-2.5250332
Log P
-0.104209736
Molar Refractivity
51.4371
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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