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Chemical ID: 7393825
Chemical ID:
7393825
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCCO
InChi [?]:
InChI=1/C22H20ClNO6/c1-11-8-16-13(10-14(11)23)20(27)18-19(12-4-5-15(26)17(9-12)29-2)24(6-3-7-25)22(28)21(18)30-16/h4-5,8-10,19,25-26H,3,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,28,19,20,27,29,3,23,6,2,18,5,7,21,4,22,11,17,9,12,14,8,16,30,26,10,15,24,13/rA:30cCCCCCCCClCOCCOCONCCCCCCCOCOCCCO/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;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20ClNO6 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.80602 |
Area: | 633.922 |
Solvation: | -7.04204 |
Coulombic: | -73.5151 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 429.85 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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