ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7707527

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3cccc4c3cccc4

Chemical ID:

7707527

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3cccc4c3cccc4

InChi [?]:

InChI=1/C27H23ClN2O3/c1-19(33-26-8-4-6-22-5-2-3-7-25(22)26)27(31)30-29-17-20-11-15-24(16-12-20)32-18-21-9-13-23(28)14-10-21/h2-17,19H,18H2,1H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,32,31,26,33,27,30,25,17,21,9,13,18,20,10,12,7,15,2,8,16,28,19,11,29,24,3,22,6,5,4,14,23/E:(9,10)(11,12)(13,14)(15,16)/rA:33cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s19;s2;s23;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₃ClN₂O₃
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3559
Area:	722.121
Solvation:	-6.69712
Coulombic:	-37.3583

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.71
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