Chemical ID: 4747213

c1ccc-2c(c1)CSc3c2nc(nc3)N
Chemical ID:
4747213
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CSc3c2nc(nc3)N
InChi [?]:
InChI=1/C11H9N3S/c12-11-13-5-9-10(14-11)8-4-2-1-3-7(8)6-15-9/h1-5H,6H2,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,7,5,4,9,10,12,15,13,11,8/rA:15nCCCCCCCSCCNCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.71947
Area:364.024
Solvation:-1.38112
Coulombic:-29.9008
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:215.275
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.83
LogP (Chemaxon):2.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue