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Chemical ID: 6154966

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OC(=O)c4ccc(cc4)Cl

Chemical ID:

6154966

Name [?]:

[2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 4-chlorobenzoate

SMILES [?]:

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C23H15ClO5/c1-27-17-12-8-14(9-13-17)21-22(20(25)18-4-2-3-5-19(18)28-21)29-23(26)15-6-10-16(24)11-7-15/h2-13H,1H3

InChi Info:

AuxInfo=1/0/N:1,15,16,14,17,24,28,5,7,25,27,4,8,6,23,26,3,13,18,11,9,10,21,29,12,22,2,19,20/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCOCCCCCCCCCOCCCCCCOOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₅ClO₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1772
Area:	606.67
Solvation:	-3.9895
Coulombic:	-47.2734

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	406.815
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.0
LogP (Chemaxon):	5.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value