Molecule

ID:121375

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
InChIKey
LIKXJDINUMWKQA-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)cccc1N1CCNCC1
Isomeric Smiles
c1(N2CCNCC2)c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.44023755
LogD (pH = 7.4)
1.0677979
Log P
2.572204
Molar Refractivity
61.3244
Polarizability
23.19082
Polar Surface Area
15.27
Rotatable Bonds
1
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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