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Chemical ID: 4902480

CCCOC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4cccc(c4)Cl

Chemical ID:

4902480

Name [?]:

propyl 4-[7-[(3-chlorophenyl)methoxy]-4-oxo-chromen-3-yl]oxybenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4cccc(c4)Cl

InChi [?]:

InChI=1/C26H21ClO6/c1-2-12-30-26(29)18-6-8-20(9-7-18)33-24-16-32-23-14-21(10-11-22(23)25(24)28)31-15-17-4-3-5-19(27)13-17/h3-11,13-14,16H,2,12,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,29,28,30,8,12,9,11,20,21,3,32,18,26,15,27,7,31,10,19,22,17,14,23,5,33,24,6,4,25,16,13/E:(6,7)(8,9)/rA:33nCCCOCOCCCCCCOCCOCCCCCCCOOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s14s22;d23;s19;s25;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁ClO₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8716
Area:	724.496
Solvation:	-5.24081
Coulombic:	-53.9728

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	464.894
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.45
LogP (Chemaxon):	6.0

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

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Chemical Mix	Source	External ID	Descriptor	Value