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Chemical ID: 7706827
Chemical ID:
7706827
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H18Cl2N2O4/c1-15-4-2-6-18(10-15)30-14-22(28)27-26-13-16-5-3-7-19(11-16)31-23(29)20-9-8-17(24)12-21(20)25/h2-13H,14H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,4,17,3,16,5,18,26,25,7,20,28,14,9,2,15,27,6,19,24,29,10,22,31,30,13,12,11,23,8,21/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18Cl2N2O4 |
All Atoms: | 49 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2603 |
Area: | 716.244 |
Solvation: | -6.64581 |
Coulombic: | -46.2896 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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