Molecule

ID:103522

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉ClN₄
Molecular Mass
350.84466
Exact Mass
350.12982431
Charge
0
InChI
InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H
InChIKey
OARRHUQTFTUEOS-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N.[Cl-]
Isomeric Smiles
[Cl-].Cc1cc2nc3cc(C)c(N)cc3[n+](c3ccccc3)c2cc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.785387
LogD (pH = 7.4)
0.8123235
Log P
0.8126784
Molar Refractivity
109.3911
Polarizability
40.03386
Polar Surface Area
68.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation