Molecule

ID:136859

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇N
Molecular Mass
271.35568
Exact Mass
271.13609955
Charge
0
InChI
InChI=1S/C20H17N/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)21(19)18-14-8-3-9-15-18/h1-15,19-20H/t19-,20+,21?
InChIKey
BHAJUXABDQWRKH-WCRBZPEASA-N
Canonic Smiles
c1ccc(cc1)N1[C@H]([C@H]1c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)[C@@H]1[C@@H](N1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4782453
LogD (pH = 7.4)
5.4782453
Log P
5.4782453
Molar Refractivity
87.0832
Polarizability
33.726334
Polar Surface Area
3.01
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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