Chemical ID: 4521939

c1ccc2c(c1)C(=Nn3c(nnc3S)N)C(=O)N2
Chemical ID:
4521939
Name [?]:
3-[(3-amino-5-sulfanyl-1,2,4-triazol-4-yl)imino]indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=Nn3c(nnc3S)N)C(=O)N2
InChi [?]:
InChI=1/C10H8N6OS/c11-9-13-14-10(18)16(9)15-7-5-3-1-2-4-6(5)12-8(7)17/h1-4H,(H2,11,13)(H,14,18)(H,12,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,16,10,13,15,18,11,12,8,9,17,14/rA:18nCCCCCCCNNCNNCSNCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;s9d12;s13;s10;s7;d16;s4s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N6OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.93993
Area:412.783
Solvation:-2.37964
Coulombic:-52.5243
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:260.276
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.91
LogP (Chemaxon):0.96

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Descriptor Annotations

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