Molecule

ID:48353

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c1-8-2-4-14(5-3-8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKey
VJNBAZDFCAAZRV-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ncnc(c1)Cl
Isomeric Smiles
c1(N2CCC(CC2)C)cc(ncn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.712887
LogD (pH = 7.4)
2.713832
Log P
2.7138438
Molar Refractivity
60.0211
Polarizability
21.941368
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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