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Chemical ID: 7702274
Chemical ID:
7702274
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccccc1OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H17Cl3N2O4/c1-14(31-21-11-10-18(25)12-19(21)26)22(29)28-27-13-16-4-2-3-5-20(16)32-23(30)15-6-8-17(24)9-7-15/h2-14H,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,18,22,19,21,27,26,29,7,2,17,8,20,28,30,13,25,3,15,23,32,31,6,5,4,16,24,14/E:(6,7)(8,9)/rA:32cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17Cl3N2O4 |
All Atoms: | 49 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.4391 |
Area: | 731.239 |
Solvation: | -5.84184 |
Coulombic: | -48.6253 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.57 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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