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Chemical ID: 7706557

CC(C(=O)NN=Cc1cccc(c1)OCc2ccccc2)Oc3ccc(cc3)Cl

Chemical ID:

7706557

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OCc2ccccc2)Oc3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H21ClN2O3/c1-17(29-21-12-10-20(24)11-13-21)23(27)26-25-15-19-8-5-9-22(14-19)28-16-18-6-3-2-4-7-18/h2-15,17H,16H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,10,17,21,9,11,25,27,24,28,13,7,15,2,16,8,26,23,12,3,29,6,5,4,14,22/E:(3,4)(6,7)(10,11)(12,13)/rA:29cCCCONNCCCCCCCOCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClN₂O₃
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.211
Area:	669.171
Solvation:	-6.51822
Coulombic:	-36.3939

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.45
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