Molecule

ID:47867

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-10-9-11(5-6-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKey
TWPRYUNMILQJSA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)N1CCCCC1
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7492847
LogD (pH = 7.4)
2.3194683
Log P
2.6161513
Molar Refractivity
62.3702
Polarizability
22.86965
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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