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Chemical ID: 7705209

COc1ccc(cc1)C(=O)Oc2ccc(cc2C=NNC(=O)c3ccccc3Cl)Br

Chemical ID:

7705209

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2C=NNC(=O)c3ccccc3Cl)Br

InChi [?]:

InChI=1/C22H16BrClN2O4/c1-29-17-9-6-14(7-10-17)22(28)30-20-11-8-16(23)12-15(20)13-25-26-21(27)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,25,26,24,27,5,7,14,4,8,13,16,18,6,17,15,3,23,28,12,21,9,30,29,19,20,22,10,2,11/E:(6,7)(9,10)/rA:30nCOCCCCCCCOOCCCCCCCNNCOCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.61433
Area:	607.85
Solvation:	-5.58193
Coulombic:	-46.7326

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:	6.83
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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