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Chemical ID: 7722061
Chemical ID:
7722061
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCCO)O
InChi [?]:
InChI=1/C22H22ClNO5/c1-2-29-17-9-7-14(8-10-17)20(26)18-19(15-5-3-6-16(23)13-15)24(11-4-12-25)22(28)21(18)27/h3,5-10,13,19,25,27H,2,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,26,19,21,6,8,5,9,25,27,23,7,18,22,4,12,17,10,13,14,24,16,28,11,29,15,3/E:(7,8)(9,10)/rA:29cCCOCCCCCCCOCCCONCCCCCCCClCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22ClNO5 |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1172 |
Area: | 652.761 |
Solvation: | -6.20182 |
Coulombic: | -67.5302 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.81 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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