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Chemical ID: 7703836

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

Chemical ID:

7703836

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C26H27ClN2O3/c1-2-3-4-20-7-13-25(14-8-20)32-19-26(30)29-28-17-21-9-15-24(16-10-21)31-18-22-5-11-23(27)12-6-22/h5-17H,2-4,18-19H2,1H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,27,31,6,10,19,23,28,30,7,9,20,22,17,25,12,5,18,26,29,21,8,13,32,16,15,14,24,11/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32nCCCCCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₂O₃
All Atoms:	59
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.9511
Area:	766.722
Solvation:	-7.2169
Coulombic:	-36.0624

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.96
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