Molecule

ID:92551

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-13-10-11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8,10H2,1H3
InChIKey
UPWCDHABVAGLNO-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)N1CCCC1
Isomeric Smiles
N1(c2cc(ccc2)CNC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1957709
LogD (pH = 7.4)
-0.24418099
Log P
2.045436
Molar Refractivity
61.2756
Polarizability
23.346905
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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