Molecule

ID:129115

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅N₃O
Molecular Mass
323.432
Exact Mass
323.19976244
Charge
0
InChI
InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21,23H,4-6,8H2,1-3H3
InChIKey
SZXDNGVQRDTJSD-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1=C/C(=C\c2[nH]c(cc2OC)c2ccc[nH]2)/N=C1C
Isomeric Smiles
CC1=N/C(=C/c2[nH]c(cc2OC)c2ccc[nH]2)/C=C1CCCCC
Calculated Properties
JChem
Acid pKa
14.557181
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9780664
LogD (pH = 7.4)
4.062849
Log P
4.129847
Molar Refractivity
101.025
Polarizability
39.09847
Polar Surface Area
53.17
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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