Molecule

ID:120716

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN₅
Molecular Mass
269.7737
Exact Mass
269.14072335
Charge
0
InChI
InChI=1S/C12H19N5.ClH/c1-8-14-16-17(15-8)12-5-9-2-10(6-12)4-11(13,3-9)7-12;/h9-10H,2-7,13H2,1H3;1H
InChIKey
XQCZWMYGCXTNHW-UHFFFAOYSA-N
Canonic Smiles
Cc1nnn(n1)C12CC3CC(C1)CC(C2)(C3)N.Cl
Isomeric Smiles
n1(nnc(n1)C)C12CC3(CC(C2)CC(C1)C3)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.542792
LogD (pH = 7.4)
-2.3300216
Log P
0.66647714
Molar Refractivity
76.7623
Polarizability
24.831793
Polar Surface Area
69.62
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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