Molecule

ID:48402

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃O
Molecular Mass
199.6375
Exact Mass
199.05123964
Charge
0
InChI
InChI=1S/C8H10ClN3O/c9-7-5-10-6-8(11-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
AVZHUCQUCHGNJF-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)N1CCOCC1
Isomeric Smiles
n1c(N2CCOCC2)cncc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.84612155
LogD (pH = 7.4)
0.8461237
Log P
0.84612375
Molar Refractivity
51.4269
Polarizability
19.023127
Polar Surface Area
38.25
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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