Molecule

ID:127693

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3
InChIKey
ZVRZJTRBWTVKOJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(c1ccccc1)(c1ccccc1)O)N
Isomeric Smiles
OC(c1ccccc1)(c1ccccc1)C(N)CCCCC
Calculated Properties
JChem
Acid pKa
12.886941
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2800906
LogD (pH = 7.4)
2.3350246
Log P
4.251005
Molar Refractivity
87.9429
Polarizability
35.021626
Polar Surface Area
46.25
Rotatable Bonds
7
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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