Molecule

ID:125786

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O
Molecular Mass
294.39078
Exact Mass
294.17321333
Charge
0
InChI
InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3
InChIKey
HBGWAZBZXJBYQD-UHFFFAOYSA-N
Canonic Smiles
CNCCCC1(C)c2ccccc2N(C1=O)c1ccccc1
Isomeric Smiles
CC1(c2ccccc2N(C1=O)c1ccccc1)CCCNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24270335
LogD (pH = 7.4)
0.7736424
Log P
3.4712327
Molar Refractivity
89.1167
Polarizability
34.81892
Polar Surface Area
32.34
Rotatable Bonds
5
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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