Molecule

ID:127135

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c1-17(21-15-9-4-10-16-21)20(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,22H,4,9-10,15-16H2,1H3
InChIKey
ZOCMPVMKPVJTEP-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1ccccc1)(c1ccccc1)O)N1CCCCC1
Isomeric Smiles
OC(c1ccccc1)(c1ccccc1)C(N1CCCCC1)C
Calculated Properties
JChem
Acid pKa
12.883485
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6389231
LogD (pH = 7.4)
1.7869248
Log P
4.060771
Molar Refractivity
91.8272
Polarizability
36.125935
Polar Surface Area
23.47
Rotatable Bonds
4
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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