Molecule

ID:28979

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N
Molecular Mass
211.30218
Exact Mass
211.13609955
Charge
0
InChI
InChI=1S/C15H17N/c1-12-6-8-15(9-7-12)16-11-14-5-3-4-13(2)10-14/h3-10,16H,11H2,1-2H3
InChIKey
ORCFSZPPMKXVGL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NCc1cccc(c1)C
Isomeric Smiles
N(c1ccc(cc1)C)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.167575
LogD (pH = 7.4)
4.196952
Log P
4.19734
Molar Refractivity
70.9468
Polarizability
26.514856
Polar Surface Area
12.03
Rotatable Bonds
3
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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