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Chemical ID: 7706088

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4

Chemical ID:

7706088

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C30H27ClN2O4/c1-21(37-27-15-11-25(12-16-27)24-6-4-3-5-7-24)30(34)33-32-19-23-10-17-28(29(18-23)35-2)36-20-22-8-13-26(31)14-9-22/h3-19,21H,20H2,1-2H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,15,35,34,36,33,37,19,23,9,28,30,20,22,27,31,10,13,7,17,2,18,8,32,29,21,26,11,12,3,24,6,5,4,14,16,25/E:(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:37cCCCONNCCCCCCCOCOCCCCCCCClOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s21;s2;s25;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₇ClN₂O₄
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1075
Area:	810.41
Solvation:	-9.15272
Coulombic:	-43.8531

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.04
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

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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