Chemical ID: 4756171

c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
Chemical ID:
4756171
Name [?]:
2-furyl-[3-(2-thienyl)pyrazol-1-yl]-methanone
SMILES [?]:
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
InChi [?]:
InChI=1/C12H8N2O2S/c15-12(10-3-1-7-16-10)14-6-5-9(13-14)11-4-2-8-17-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,15,2,14,10,9,5,16,11,3,13,6,12,8,7,4,17/rA:17nCCCOCCONCCCNCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.74052
Area:420.316
Solvation:-2.76738
Coulombic:-24.8127
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.27
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.66
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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