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Chemical ID: 7702568
Chemical ID:
7702568
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2ccccc2OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H19ClN2O4/c1-16-5-4-7-20(13-16)29-15-22(27)26-25-14-18-6-2-3-8-21(18)30-23(28)17-9-11-19(24)12-10-17/h2-14H,15H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,17,18,4,3,16,5,19,25,29,26,28,7,14,9,2,24,15,27,6,20,10,22,30,13,12,11,23,8,21/E:(9,10)(11,12)/rA:30nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19ClN2O4 |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.7017 |
Area: | 638.549 |
Solvation: | -6.26202 |
Coulombic: | -46.9149 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.24 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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