Molecule

ID:127830

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₉N
Molecular Mass
285.38226
Exact Mass
285.15174961
Charge
0
InChI
InChI=1S/C21H19N/c1-22(2)16-8-7-13-21-19-11-5-3-9-17(19)14-15-18-10-4-6-12-20(18)21/h3-6,9-15H,16H2,1-2H3
InChIKey
OKCODFSHDQKCQN-UHFFFAOYSA-N
Canonic Smiles
CN(CC#C/C=C/1\c2ccccc2C=Cc2c1cccc2)C
Isomeric Smiles
C(#C/C=C\1/c2ccccc2C=Cc2c1cccc2)CN(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.160071
LogD (pH = 7.4)
3.9342058
Log P
4.798196
Molar Refractivity
106.4322
Polarizability
36.080128
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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