Molecule

ID:125790

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂
Molecular Mass
264.3648
Exact Mass
264.16264865
Charge
0
InChI
InChI=1S/C18H20N2/c1-19-12-11-14-13-15-7-3-5-9-17(15)20(2)18-10-6-4-8-16(14)18/h3-10,13,19H,11-12H2,1-2H3
InChIKey
MHBXHCOUWYQAFZ-UHFFFAOYSA-N
Canonic Smiles
CNCCC1=Cc2ccccc2N(c2c1cccc2)C
Isomeric Smiles
c1cc2c(C=C(c3c(cccc3)N2C)CCNC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.41105303
LogD (pH = 7.4)
1.007061
Log P
3.6364262
Molar Refractivity
86.0815
Polarizability
32.90744
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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