Molecule

ID:29071

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₁NO
Molecular Mass
289.45554
Exact Mass
289.24056462
Charge
0
InChI
InChI=1S/C19H31NO/c1-15(14-20-17-8-6-5-7-9-17)21-18-12-10-16(11-13-18)19(2,3)4/h10-13,15,17,20H,5-9,14H2,1-4H3
InChIKey
YBBKACXCEXAVTH-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)(C)C)CNC1CCCCC1
Isomeric Smiles
C(c1ccc(OC(CNC2CCCCC2)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9887621
LogD (pH = 7.4)
2.6223052
Log P
5.212073
Molar Refractivity
89.3445
Polarizability
35.71201
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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