Molecule

ID:29387

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-14(2)17-7-5-16(6-8-17)13-20-18-9-11-19(12-10-18)21-15(3)4/h5-12,14-15,20H,13H2,1-4H3
InChIKey
WPKNTDUVISCVKP-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)NCc1ccc(cc1)C(C)C)C
Isomeric Smiles
c1(ccc(CNc2ccc(OC(C)C)cc2)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9271436
LogD (pH = 7.4)
5.029739
Log P
5.031218
Molar Refractivity
90.6858
Polarizability
34.603077
Polar Surface Area
21.26
Rotatable Bonds
6
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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