Molecule

ID:84921

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅ClN₂
Molecular Mass
294.7781
Exact Mass
294.09237617
Charge
0
InChI
InChI=1S/C18H14N2.ClH/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-12H,19H2;1H
InChIKey
CFQROJKMLJRSAL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1c2ccccc2c2c1cccc2.Cl
Isomeric Smiles
n1(c2c(cccc2)c2c1cccc2)c1ccc(cc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8635092
LogD (pH = 7.4)
4.1386447
Log P
4.1435943
Molar Refractivity
93.1662
Polarizability
34.785656
Polar Surface Area
30.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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