Molecule

ID:73882

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
InChIKey
QROUAUKPBGCWPX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nc1)N1CCNCCC1
Isomeric Smiles
n1c(ccc(c1)Cl)N1CCNCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5990696
LogD (pH = 7.4)
-0.5711472
Log P
1.5861509
Molar Refractivity
59.0688
Polarizability
22.445005
Polar Surface Area
28.16
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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