Molecule

ID:74540

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N
Molecular Mass
221.297
Exact Mass
221.12044949
Charge
0
InChI
InChI=1S/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKey
RAKSXVONTIQCGY-UHFFFAOYSA-N
Canonic Smiles
CCn1c(cc2c1cccc2)c1ccccc1
Isomeric Smiles
n1(c2c(cccc2)cc1c1ccccc1)CC
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
30.393456
Polar Surface Area
4.93
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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