Molecule

ID:92217

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-13-10-11-6-2-3-7-12(11)14-8-4-5-9-14/h2-3,6-7,13H,4-5,8-10H2,1H3
InChIKey
YQQVLJYISRREIO-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1N1CCCC1
Isomeric Smiles
N1(c2c(cccc2)CNC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.11215
LogD (pH = 7.4)
0.061121736
Log P
2.045436
Molar Refractivity
61.2756
Polarizability
23.347157
Polar Surface Area
15.27
Rotatable Bonds
3
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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