Molecule
ID:116752
General Information
Molecular Formula
C₁₆H₁₅N
Molecular Mass
221.297
Exact Mass
221.12044949
Charge
0
InChI
InChI=1S/C16H15N/c1-13-11-15-9-5-6-10-16(15)17(13)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKey
DPNOTFHCABPNQH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
n1(c(cc2c1cccc2)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2197185
LogD (pH = 7.4)
4.2197185
Log P
4.2197185
Molar Refractivity
71.8035
Polarizability
28.828463
Polar Surface Area
4.93
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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