Molecule

ID:114225

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN₃
Molecular Mass
273.76064
Exact Mass
273.10327521
Charge
0
InChI
InChI=1S/C15H16ClN3/c16-15-9-8-14(17-18-15)12-4-6-13(7-5-12)19-10-2-1-3-11-19/h4-9H,1-3,10-11H2
InChIKey
FTRHTIWPCRQTBE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(cc1)N1CCCCC1
Isomeric Smiles
n1nc(ccc1c1ccc(N2CCCCC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5339043
LogD (pH = 7.4)
3.5907362
Log P
3.591511
Molar Refractivity
80.9653
Polarizability
31.063286
Polar Surface Area
29.02
Rotatable Bonds
2
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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