ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7708190

Chemical ID:

7708190

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)NC(=O)c2cc(ccc2Br)Br

InChi [?]:

InChI=1/C15H13Br2NO3/c1-20-13-6-4-10(8-14(13)21-2)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,10,17,5,18,4,15,7,16,6,14,19,3,8,12,21,20,11,13,2,9/rA:21nCOCCCCCCOCNCOCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃Br₂NO₃
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	7.27828
Area:	501.348
Solvation:	-5.25543
Coulombic:	-35.0866

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.15
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value