Chemical ID: 7722097

C=CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3cccc(c3)Cl
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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