Molecule

ID:75576

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃
Molecular Mass
183.6381
Exact Mass
183.05632502
Charge
0
InChI
InChI=1S/C8H10ClN3/c9-8-10-4-3-7(11-8)12-5-1-2-6-12/h3-4H,1-2,5-6H2
InChIKey
OSBZWNGXKCNMHM-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)N1CCCC1
Isomeric Smiles
N1(c2ccnc(n2)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0660903
LogD (pH = 7.4)
2.0665784
Log P
2.0665846
Molar Refractivity
50.504
Polarizability
18.334284
Polar Surface Area
29.02
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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