Molecule

ID:48361

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃
Molecular Mass
225.71784
Exact Mass
225.10327521
Charge
0
InChI
InChI=1S/C11H16ClN3/c1-2-9-5-3-4-6-15(9)11-7-10(12)13-8-14-11/h7-9H,2-6H2,1H3
InChIKey
ZCNVCNQVGGQFDZ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ncnc(c1)Cl
Isomeric Smiles
c1(N2C(CC)CCCC2)cc(ncn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.365033
LogD (pH = 7.4)
3.365911
Log P
3.3659222
Molar Refractivity
64.4153
Polarizability
23.777618
Polar Surface Area
29.02
Rotatable Bonds
2
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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