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Chemical ID: 7080507
Chemical ID:
7080507
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCOC
InChi [?]:
InChI=1/C22H19Cl2NO4/c1-12-4-7-17-14(10-12)20(26)18-19(13-5-6-15(23)16(24)11-13)25(8-3-9-28-2)22(27)21(18)29-17/h4-7,10-11,19H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,26,3,18,19,4,25,27,7,22,2,17,6,20,21,5,10,16,8,11,13,24,23,15,9,14,28,12/rA:29cCCCCCCCCOCCOCONCCCCCCCClClCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s15;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19Cl2NO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3031 |
Area: | 643.264 |
Solvation: | -4.77851 |
Coulombic: | -43.6832 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 432.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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