Molecule

ID:73516

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂
Molecular Mass
238.32752
Exact Mass
238.14699859
Charge
0
InChI
InChI=1S/C16H18N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKey
NXYCTQXWYWRZDE-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C(N1)c1ccccc1)c1ccccc1
Isomeric Smiles
N1C(c2ccccc2)C(c2ccccc2)NCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.25171736
LogD (pH = 7.4)
1.2714332
Log P
2.8396735
Molar Refractivity
74.0144
Polarizability
29.698515
Polar Surface Area
24.06
Rotatable Bonds
2
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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