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Chemical ID: 7705916

c1ccc(cc1)C(C(=O)NN=Cc2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br)O

Chemical ID:

7705916

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C(C(=O)NN=Cc2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br)O

InChi [?]:

InChI=1/C22H16BrClN2O4/c23-17-8-11-19(30-22(29)15-6-9-18(24)10-7-15)16(12-17)13-25-26-21(28)20(27)14-4-2-1-3-5-14/h1-13,20,27H,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,23,27,16,24,26,17,14,12,4,22,13,15,25,18,7,8,20,29,28,11,10,30,9,21,19/E:(2,3)(4,5)(6,7)(9,10)/rA:30cCCCCCCCCONNCCCCCCCOCOCCCCCCClBrO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆BrClN₂O₄
All Atoms:	46
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.957
Area:	656.704
Solvation:	-4.46063
Coulombic:	-59.1383

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.74
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