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Chemical ID: 6344705

Chemical ID:

6344705

Name [?]:

N-(3-bromophenyl)-5-methyl-furan-2-carboxamide

SMILES [?]:

Cc1ccc(o1)C(=O)Nc2cccc(c2)Br

InChi [?]:

InChI=1/C12H10BrNO2/c1-8-5-6-11(16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,12,13,11,3,4,15,2,14,10,5,7,16,9,8,6/rA:16nCCCCCOCONCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀BrNO₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.46795
Area:	414.008
Solvation:	-1.88224
Coulombic:	-30.619

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	280.117
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.73
LogP (Chemaxon):	2.86

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value