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Chemical ID: 7706608

COc1cc(ccc1OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl)CC=C

Chemical ID:

7706608

Name [?]:

None

SMILES [?]:

COc1cc(ccc1OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl)CC=C

InChi [?]:

InChI=1/C26H25ClN2O4/c1-3-4-19-9-14-24(25(15-19)31-2)33-18-26(30)29-28-16-20-7-12-23(13-8-20)32-17-21-5-10-22(27)11-6-21/h3,5-16H,1,4,17-18H2,2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:33,1,32,31,25,29,17,21,6,26,28,18,20,7,4,15,23,10,5,16,24,27,19,8,3,11,30,14,13,12,2,22,9/E:(5,6)(7,8)(10,11)(12,13)/rA:33nCOCCCCCCOCCONNCCCCCCCOCCCCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;s5;s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O₄
All Atoms:	58
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	9.5478
Area:	768.089
Solvation:	-9.65441
Coulombic:	-42.7701

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.86
LogP (Chemaxon):	None

Name Annotations

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

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