Molecule

ID:125866

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O
Molecular Mass
296.40666
Exact Mass
296.1888634
Charge
0
InChI
InChI=1S/C19H24N2O/c1-14-12-17-13-19(22)7-4-16(17)9-11-21(14)10-8-15-2-5-18(20)6-3-15/h2-7,13-14,22H,8-12,20H2,1H3
InChIKey
GPMWCDGLCHGTPJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCN1CCc2c(CC1C)cc(cc2)O
Isomeric Smiles
CC1N(CCc2ccc(N)cc2)CCc2c(C1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.582548
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.30620968
LogD (pH = 7.4)
1.718061
Log P
2.1123884
Molar Refractivity
93.133
Polarizability
35.150906
Polar Surface Area
49.49
Rotatable Bonds
3
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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