Molecule

ID:122054

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₄
Molecular Mass
200.66862
Exact Mass
200.08287412
Charge
0
InChI
InChI=1S/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H
InChIKey
NWJLHLTVRVTJGR-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncccn1.Cl
Isomeric Smiles
c1(N2CCNCC2)ncccn1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.614039
LogD (pH = 7.4)
-1.0065413
Log P
0.30063698
Molar Refractivity
47.8523
Polarizability
17.841358
Polar Surface Area
41.05
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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