Chemical ID: 7125557

Cc1c(c(=O)[nH][nH]1)Sc2[nH]c3ccccc3[nH+]2
Chemical ID:
7125557
Name [?]:
4-(1,3-dihydrobenzoimidazol-2-ylsulfanyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILES [?]:
Cc1c(c(=O)[nH][nH]1)Sc2[nH]c3ccccc3[nH+]2
InChi [?]:
InChI=1/C11H10N4OS/c1-6-9(10(16)15-14-6)17-11-12-7-4-2-3-5-8(7)13-11/h2-5H,1H3,(H,12,13)(H2,14,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,2,11,16,3,4,9,10,17,7,6,5,8/E:(2,3)(4,5)(7,8)(12,13)/rA:17nCCCCONNSCNCCCCCCN+/rB:s1;d2;s3;d4;s4;s2s6;s3;s8;s9;s10;s11;d12;s13;d14;d11s15;d9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N4OS+
All Atoms:28
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-21.08
Area:409.479
Solvation:-31.3169
Coulombic:-34.9225
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:247.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.8
LogP (Chemaxon):2.34

Name Annotations

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Descriptor Annotations

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