Molecule

ID:128824

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈ClN₃
Molecular Mass
323.81932
Exact Mass
323.11892527
Charge
0
InChI
InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H
InChIKey
JUQPZRLQQYSMEQ-UHFFFAOYSA-N
Canonic Smiles
[NH2+]=C1C=C/C(=C(\c2ccc(cc2)N)/c2ccc(cc2)N)/C=C1.[Cl-]
Isomeric Smiles
C1=CC(=[NH2+])C=C/C/1=C(/c1ccc(cc1)N)\c1ccc(cc1)N.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.23700853
LogD (pH = 7.4)
1.4144574
Log P
2.8143616
Molar Refractivity
116.7541
Polarizability
34.791832
Polar Surface Area
77.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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