Molecule

ID:47702

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-12-8-9-15(14(16)10-12)17(2)11-13-6-4-3-5-7-13/h3-10H,11,16H2,1-2H3
InChIKey
TYRYDQLDGFJNIC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N(Cc1ccccc1)C
Isomeric Smiles
c1(N(Cc2ccccc2)C)c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4503288
LogD (pH = 7.4)
3.4897318
Log P
3.4902582
Molar Refractivity
74.8408
Polarizability
27.703775
Polar Surface Area
29.26
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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