Molecule

ID:118010

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-11-8-14(9-15)12(2)16(11)10-13-6-4-3-5-7-13/h3-8H,9-10,15H2,1-2H3
InChIKey
GBLVMFFJGRFAAB-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccccc1)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.47019964
LogD (pH = 7.4)
0.39445147
Log P
2.5261703
Molar Refractivity
69.0989
Polarizability
26.334784
Polar Surface Area
30.95
Rotatable Bonds
3
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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