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Chemical ID: 7704859
Chemical ID:
7704859
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C24H21Cl3N2O4/c1-15(33-21-10-8-19(26)12-20(21)27)24(30)29-28-13-17-5-9-22(23(11-17)31-2)32-14-16-3-6-18(25)7-4-16/h3-13,15H,14H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,15,19,23,9,20,22,28,10,27,13,30,7,17,2,18,8,21,29,31,26,11,12,3,24,33,32,6,5,4,14,16,25/E:(3,4)(6,7)/rA:33cCCCONNCCCCCCCOCOCCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s21;s2;s25;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21Cl3N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.75718 |
Area: | 765.043 |
Solvation: | -9.3689 |
Coulombic: | -41.7093 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.34 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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