Molecule

ID:47768

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2
InChIKey
RDUONPQXZRHVKQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCCCC1
Isomeric Smiles
N1(c2ccc(N)cc2)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44115075
LogD (pH = 7.4)
2.099407
Log P
2.5472984
Molar Refractivity
61.93
Polarizability
22.949396
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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