Molecule

ID:47831

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂
Molecular Mass
238.32752
Exact Mass
238.14699859
Charge
0
InChI
InChI=1S/C16H18N2/c1-12-10-15(17)6-7-16(12)18-9-8-13-4-2-3-5-14(13)11-18/h2-7,10H,8-9,11,17H2,1H3
InChIKey
JMHHOQLWWHTLND-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)C)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7959857
LogD (pH = 7.4)
3.5062273
Log P
3.5301468
Molar Refractivity
78.1504
Polarizability
28.725065
Polar Surface Area
29.26
Rotatable Bonds
1
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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