Chemical ID: 4579722

c1ccc2c(c1)cc(c(=O)o2)c3cc(=O)oc4c3ccc(c4)OCc5ccc(cc5)Cl
Chemical ID:
4579722
Name [?]:
7-[(4-chlorophenyl)methoxy]-4-(2-oxochromen-3-yl)-chromen-2-one
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)c3cc(=O)oc4c3ccc(c4)OCc5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H15ClO5/c26-17-7-5-15(6-8-17)14-29-18-9-10-19-20(13-24(27)30-23(19)12-18)21-11-16-3-1-2-4-22(16)31-25(21)28/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,26,30,27,29,20,19,7,22,13,24,25,5,28,21,18,12,8,4,17,14,9,31,15,10,23,16,11/E:(5,6)(7,8)/rA:31nCCCCCCCCCOOCCCOOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;d14;s14;s16;s12s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H15ClO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.0482
Area:647.253
Solvation:-5.13312
Coulombic:-46.9965
Bond Count [?]
All:35
Single:22
Double:13
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.836
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.55
LogP (Chemaxon):5.91

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Descriptor Annotations

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