Molecule

ID:59495

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-4-12-9-10-7-5-6-8-11(10)13(2)3/h5-8,12H,4,9H2,1-3H3
InChIKey
AWFPQTKNDUIHRR-UHFFFAOYSA-N
Canonic Smiles
CCNCc1ccccc1N(C)C
Isomeric Smiles
c1(c(CNCC)cccc1)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1750385
LogD (pH = 7.4)
-0.06827201
Log P
1.9964465
Molar Refractivity
58.4832
Polarizability
22.242674
Polar Surface Area
15.27
Rotatable Bonds
4
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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