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Chemical ID: 7080235
Chemical ID:
7080235
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)CCOC
InChi [?]:
InChI=1/C21H18ClNO4/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(22)11-13)23(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,18,20,3,4,24,25,7,22,2,17,21,6,5,10,16,8,11,13,23,15,9,14,26,12/rA:27cCCCCCCCCOCCOCONCCCCCCCClCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO4 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4838 |
Area: | 581.143 |
Solvation: | -4.04474 |
Coulombic: | -44.1485 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 383.825 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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