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Chemical ID: 7707844

Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccccc3Cl

Chemical ID:

7707844

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C(=O)NN=Cc3ccccc3Cl

InChi [?]:

InChI=1/C22H19ClN2O2/c1-16-6-8-17(9-7-16)15-27-20-12-10-18(11-13-20)22(26)25-24-14-19-4-2-3-5-21(19)23/h2-14H,15H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,23,24,22,25,3,7,4,6,12,14,11,15,20,8,2,5,13,21,10,26,16,27,19,18,17,9/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCOCCCCCCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉ClN₂O₂
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4218
Area:	618.969
Solvation:	-5.05245
Coulombic:	-29.2094

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.68
LogP (Chemaxon):	None

Name Annotations

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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