Molecule

ID:11692

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄N₂O
Molecular Mass
200.32106
Exact Mass
200.1888634
Charge
0
InChI
InChI=1S/C11H24N2O/c1-11(2)10-12-4-3-5-13-6-8-14-9-7-13/h11-12H,3-10H2,1-2H3
InChIKey
POWBNONWENYXSB-UHFFFAOYSA-N
Canonic Smiles
CC(CNCCCN1CCOCC1)C
Isomeric Smiles
N1(CCCNCC(C)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.991009
LogD (pH = 7.4)
-2.1300912
Log P
0.9115285
Molar Refractivity
60.3966
Polarizability
24.013033
Polar Surface Area
24.5
Rotatable Bonds
6
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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