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Chemical ID: 7702448
Chemical ID:
7702448
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H20Cl2N2O3/c1-16(30-22-12-8-20(25)9-13-22)23(28)27-26-14-17-4-10-21(11-5-17)29-15-18-2-6-19(24)7-3-18/h2-14,16H,15H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,17,21,9,13,18,20,26,28,10,12,25,29,7,15,2,8,16,19,27,11,24,3,22,30,6,5,4,14,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCl/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1727 |
Area: | 706.389 |
Solvation: | -6.48702 |
Coulombic: | -36.5252 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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