Molecule

ID:62392

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₅
Molecular Mass
253.73124
Exact Mass
253.10942322
Charge
0
InChI
InChI=1S/C11H15N5.ClH/c1-16-11-10(13-6-7-14-11)9(15-16)8-2-4-12-5-3-8;/h6-8,12H,2-5H2,1H3;1H
InChIKey
XSOKYHULWQSCCH-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c2c1nccn2)C1CCNCC1.Cl
Isomeric Smiles
n1c(c2c(n1C)nccn2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2379973
LogD (pH = 7.4)
-2.4312663
Log P
-0.027100662
Molar Refractivity
71.579
Polarizability
23.884651
Polar Surface Area
55.63
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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