Chemical ID: 4595864

c1ccc2c(c1)Nc3c(sc(=O)[nH]3)C=N2
Chemical ID:
4595864
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(sc(=O)[nH]3)C=N2
InChi [?]:
InChI=1/C10H7N3OS/c14-10-13-9-8(15-10)5-11-6-3-1-2-4-7(6)12-9/h1-5,12H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,4,5,9,8,11,15,7,13,12,10/rA:15nCCCCCCNCCSCONCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s8s11;s9;s4d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N3OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.13799
Area:363.543
Solvation:-1.95059
Coulombic:-38.5971
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:217.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.2
LogP (Chemaxon):2.0

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Descriptor Annotations

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