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Chemical ID: 4902954
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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