Molecule

ID:62245

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN₅O
Molecular Mass
285.7731
Exact Mass
285.13563797
Charge
0
InChI
InChI=1S/C12H19N5O.ClH/c1-9(18)16-5-2-3-10(8-16)12-15-14-11-7-13-4-6-17(11)12;/h10,13H,2-8H2,1H3;1H
InChIKey
MGSVEDDFLKVATI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCC(C1)c1nnc2n1CCNC2.Cl
Isomeric Smiles
c1(n2c(nn1)CNCC2)C1CN(C(=O)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.65561
LogD (pH = 7.4)
-1.5090923
Log P
-1.4295171
Molar Refractivity
69.0159
Polarizability
25.900383
Polar Surface Area
63.05
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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