Molecule

ID:47625

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂
Molecular Mass
244.71942
Exact Mass
244.07672611
Charge
0
InChI
InChI=1S/C14H13ClN2/c15-11-5-3-6-12(16)14(11)17-9-8-10-4-1-2-7-13(10)17/h1-7H,8-9,16H2
InChIKey
QTVGBPSOUHZCJV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCc2c1cccc2)Cl
Isomeric Smiles
N1(c2c(N)cccc2Cl)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4510925
LogD (pH = 7.4)
3.4518452
Log P
3.451855
Molar Refractivity
72.2557
Polarizability
26.943808
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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