Molecule
ID:125039
General Information
Molecular Formula
C₁₁H₁₂ClN₅O
Molecular Mass
265.69888
Exact Mass
265.07303771
Charge
0
InChI
InChI=1S/C11H11N5O.ClH/c12-3-6-15-5-2-9-8(11(15)17)7-13-10-1-4-14-16(9)10;/h1-2,4-5,7H,3,6,12H2;1H
InChIKey
LSTSVZOCUIKOGF-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccc2c(c1=O)cnc1n2ncc1.Cl
Isomeric Smiles
c12c(n3c(nc2)ccn3)ccn(c1=O)CCN.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.553366
LogD (pH = 7.4)
-2.2380748
Log P
-0.6493501
Molar Refractivity
73.8754
Polarizability
23.242758
Polar Surface Area
76.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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