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Chemical ID: 7722097
Chemical ID:
7722097
Name [?]:
None
SMILES [?]:
C=CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3cccc(c3)Cl
InChi [?]:
InChI=1/C23H20ClNO4/c1-3-12-25-20(16-6-5-7-17(24)14-16)19(22(27)23(25)28)21(26)15-8-10-18(11-9-15)29-13-4-2/h3-11,14,20,27H,1-2,12-13H2
InChi Info:
AuxInfo=1/0/N:1,22,2,21,25,24,26,14,18,15,17,3,20,28,13,23,27,16,6,5,11,7,8,29,4,12,10,9,19/E:(8,9)(10,11)/rA:29cCCCNCCCCOOCOCCCCCCOCCCCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s4s7;d8;s7;s6;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s5;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClNO4 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8392 |
Area: | 631.056 |
Solvation: | -4.93718 |
Coulombic: | -54.6597 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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