Molecule

ID:47591

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-6-4-5-9-14(10)12-8-3-2-7-11(12)13/h2-3,7-8,10H,4-6,9,13H2,1H3
InChIKey
OJEQLKXEYHRRDW-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1ccccc1N
Isomeric Smiles
N1(c2c(N)cccc2)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3372405
LogD (pH = 7.4)
2.516465
Log P
2.519305
Molar Refractivity
61.7478
Polarizability
22.950933
Polar Surface Area
29.26
Rotatable Bonds
1
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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