Molecule

ID:47757

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂
Molecular Mass
258.746
Exact Mass
258.09237617
Charge
0
InChI
InChI=1S/C15H15ClN2/c16-13-10-12(17)7-8-15(13)18-9-3-5-11-4-1-2-6-14(11)18/h1-2,4,6-8,10H,3,5,9,17H2
InChIKey
PJPXKUPFCQTEMY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8470528
LogD (pH = 7.4)
3.8957653
Log P
3.8964236
Molar Refractivity
76.8567
Polarizability
28.78705
Polar Surface Area
29.26
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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