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Chemical ID: 7722079
Chemical ID:
7722079
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H16ClNO4/c1-29-17-12-10-16(11-13-17)26-21(14-6-8-15(25)9-7-14)20-22(27)18-4-2-3-5-19(18)30-23(20)24(26)28/h2-13,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,25,29,26,28,5,7,4,8,24,27,6,3,14,19,11,10,12,21,22,30,9,13,23,2,20/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCOCCCCCCNCCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16ClNO4 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8056 |
Area: | 603.501 |
Solvation: | -4.28193 |
Coulombic: | -43.6456 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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