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Chemical ID: 6179814

Chemical ID:

6179814

Name [?]:

N-(4-fluorophenyl)-5-nitro-thiophene-2-carboxamide

SMILES [?]:

c1cc(ccc1NC(=O)c2ccc(s2)[N+](=O)[O-])F

InChi [?]:

InChI=1/C11H7FN2O3S/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)

InChi Info:

AuxInfo=1/1/N:2,4,1,5,11,12,3,6,10,13,8,18,7,15,9,16,17,14/E:(1,2)(3,4)(16,17)/CRV:14.5/rA:18nCCCCCCNCOCCCCSN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₇FN₂O₃S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	2.13289
Area:	434.142
Solvation:	-8.72067
Coulombic:	-36.5081

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.249
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.94
LogP (Chemaxon):	2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value