Chemical ID: 5282859

Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
Chemical ID:
5282859
Name [?]:
6-[(4-chlorophenyl)methoxy]-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one
SMILES [?]:
Cc1ccc(o1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H15ClO4/c1-13-2-7-17(25-13)11-20-21(23)18-9-8-16(10-19(18)26-20)24-12-14-3-5-15(22)6-4-14/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,21,25,22,24,4,13,12,15,7,19,2,20,23,14,5,11,16,8,9,26,10,18,6,17/E:(3,4)(5,6)/rA:26nCCCCCOCCCOCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.71832
Area:579.252
Solvation:-4.76297
Coulombic:-31.0809
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:366.794
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):4.34

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