Chemical ID: 4259755

c1cc2c(cc1N)N3CCN=C3S2
Chemical ID:
4259755
Name [?]:
None
SMILES [?]:
c1cc2c(cc1N)N3CCN=C3S2
InChi [?]:
InChI=1/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,9,5,6,4,3,12,7,11,8,13/rA:13nCCCCCCNNCCNCS/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;s8d11;s3s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.67341
Area:340.326
Solvation:-1.83473
Coulombic:-29.0371
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:191.254
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.35
LogP (Chemaxon):2.37

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Descriptor Annotations

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