Molecule

ID:122605

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-3-4-12(11(2)9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey
RUIMBVCRNZHCRQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)N1CCNCC1
Isomeric Smiles
c1(N2CCNCC2)c(cc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.44390863
LogD (pH = 7.4)
1.0592346
Log P
2.572204
Molar Refractivity
61.3244
Polarizability
23.190067
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
No Data Available
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Molecule Details
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References
Bioactivity
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