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Chemical ID: 7704992

Cc1cccc(c1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(cc4)Cl

Chemical ID:

7704992

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C27H21ClN2O4/c1-18-5-4-7-22(15-18)33-17-26(31)30-29-16-24-23-8-3-2-6-19(23)11-14-25(24)34-27(32)20-9-12-21(28)13-10-20/h2-16H,17H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,19,18,4,3,20,5,17,29,33,22,30,32,23,7,14,9,2,21,28,31,6,16,15,24,10,26,34,13,12,11,27,8,25/E:(9,10)(12,13)/rA:34nCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₁ClN₂O₄
All Atoms:	55
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	11.0061
Area:	695.799
Solvation:	-6.38884
Coulombic:	-47.5976

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.5
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