Molecule

ID:125628

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₀N₂O
Molecular Mass
350.4971
Exact Mass
350.23581359
Charge
0
InChI
InChI=1S/C23H30N2O/c1-19(2)11-12-24-13-15-25(16-14-24)23(21-8-4-3-5-9-21)18-20-7-6-10-22(26)17-20/h3-11,17,23,26H,12-16,18H2,1-2H3
InChIKey
WLHCNEPBQJOHKW-UHFFFAOYSA-N
Canonic Smiles
CC(=CCN1CCN(CC1)C(c1ccccc1)Cc1cccc(c1)O)C
Isomeric Smiles
c1c(O)cccc1CC(c1ccccc1)N1CCN(CC1)CC=C(C)C
Calculated Properties
JChem
Acid pKa
10.091905
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7951376
LogD (pH = 7.4)
3.4661167
Log P
4.637848
Molar Refractivity
110.7877
Polarizability
42.863792
Polar Surface Area
26.71
Rotatable Bonds
6
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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