Molecule
ID:124817
General Information
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-11-9-13(10-15-3)12(2)16(11)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKey
GACAYHPMVNHLIB-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc(n(c1C)c1ccccc1)C
Isomeric Smiles
n1(c(cc(c1C)CNC)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3838798
LogD (pH = 7.4)
-0.12814024
Log P
2.1163
Molar Refractivity
79.3578
Polarizability
27.135895
Polar Surface Area
16.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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