Chemical ID: 4854297

c1cc(sc1)C(=O)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)Cl
Chemical ID:
4854297
Name [?]:
[3-(4-chlorophenyl)-4-oxo-chromen-7-yl] thiophene-2-carboxylate
SMILES [?]:
c1cc(sc1)C(=O)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H11ClO4S/c21-13-5-3-12(4-6-13)16-11-24-17-10-14(7-8-15(17)19(16)22)25-20(23)18-2-1-9-26-18/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,21,25,22,24,10,11,5,14,16,20,23,9,12,17,13,3,18,6,26,19,7,15,8,4/E:(3,4)(5,6)/rA:26nCCCSCCOOCCCCCCOCCCOCCCCCCCl/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClO4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4821
Area:580.893
Solvation:-3.04021
Coulombic:-38.1171
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.818
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):5.02

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