Molecule

ID:102622

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₈ClN₃
Molecular Mass
393.95222
Exact Mass
393.19717559
Charge
0
InChI
InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H
InChIKey
JFTBTTPUYRGXDG-UHFFFAOYSA-N
Canonic Smiles
C/N=C/1\C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1.Cl
Isomeric Smiles
Cl.C/N=C\1/C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccc(cc2)N(C)C)/C=C1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6645453
LogD (pH = 7.4)
3.142713
Log P
4.9119773
Molar Refractivity
129.8923
Polarizability
43.73212
Polar Surface Area
18.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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