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Chemical ID: 7528295

Chemical ID:

7528295

Name [?]:

(6-phenylpyridazin-3-yl) thiophene-2-carboxylate

SMILES [?]:

c1ccc(cc1)c2ccc(nn2)OC(=O)c3cccs3

InChi [?]:

InChI=1/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H

InChi Info:

AuxInfo=1/0/N:1,2,6,18,3,5,17,8,9,19,4,7,16,10,14,12,11,15,13,20/E:(2,3)(5,6)/rA:20nCCCCCCCCCCNNOCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀N₂O₂S
All Atoms:	30
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.17723
Area:	469.528
Solvation:	-2.56096
Coulombic:	-26.0251

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.22
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value