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Chemical ID: 7387017
Chemical ID:
7387017
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CC=C
InChi [?]:
InChI=1/C22H18ClNO5/c1-4-7-24-19(12-5-6-15(25)17(9-12)28-3)18-20(26)13-10-14(23)11(2)8-16(13)29-21(18)22(24)27/h4-6,8-10,19,25H,1,7H2,2-3H3
InChi Info:
AuxInfo=1/0/N:29,1,25,28,19,20,27,3,23,6,2,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,13/rA:29cCCCCCCCClCOCCOCONCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18ClNO5 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.59549 |
Area: | 608.01 |
Solvation: | -5.60477 |
Coulombic: | -59.0681 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 411.835 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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