Molecule

ID:47756

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂
Molecular Mass
244.71942
Exact Mass
244.07672611
Charge
0
InChI
InChI=1S/C14H13ClN2/c15-12-9-11(16)5-6-14(12)17-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,16H2
InChIKey
ZHEGRGSZTIGISN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4054093
LogD (pH = 7.4)
3.451238
Log P
3.451855
Molar Refractivity
72.2557
Polarizability
26.942749
Polar Surface Area
29.26
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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