Molecule

ID:125212

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N
Molecular Mass
211.30218
Exact Mass
211.13609955
Charge
0
InChI
InChI=1S/C15H17N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2
InChIKey
RHRYWWVGUVEZRJ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)Cc1ccccc1
Isomeric Smiles
c1ccc(cc1)CC(CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3214427
LogD (pH = 7.4)
1.0308002
Log P
3.3310208
Molar Refractivity
68.454
Polarizability
26.928844
Polar Surface Area
26.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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