Structure

InChI Key YSUCWSWKRIOILX-UHFFFAOYSA-N
Smile Cl.N=C(N)NC(=N)NCCc1ccccc1
InChI
InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16ClN5
Molecular Weight 241.73
AlogP 0.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 97.78
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL1528839
EPA CompTox DTXSID0021121
FDA SRS 91XC93EU03
PubChem 13266
SureChEMBL SCHEMBL210008