Chemical ID: 4902954

Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(c(c3)Cl)Cl)Oc4ccc(cc4)C(=O)OC
Chemical ID:
4902954
Name [?]:
methyl 4-[7-[(3,4-dichlorophenyl)methoxy]-2-methyl-4-oxo-chromen-3-yl]oxybenzoate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccc(c(c3)Cl)Cl)Oc4ccc(cc4)C(=O)OC
InChi [?]:
InChI=1/C25H18Cl2O6/c1-14-24(33-17-6-4-16(5-7-17)25(29)30-2)23(28)19-9-8-18(12-22(19)32-14)31-13-15-3-10-20(26)21(27)11-15/h3-12H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,16,26,28,25,29,8,7,17,20,10,14,2,15,27,24,9,6,18,19,11,4,3,30,22,21,5,31,32,13,12,23/E:(4,5)(6,7)/rA:33nCCCCOCCCCCCOOCCCCCCCClClOCCCCCCCOOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s19;s18;s3;s23;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18Cl2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.6603
Area:712.084
Solvation:-5.14179
Coulombic:-53.5101
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:485.312
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.53
LogP (Chemaxon):5.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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