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Chemical ID: 6908472

CC(=O)Nc1ccc(cc1)C(=O)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl

Chemical ID:

6908472

Name [?]:

N-[4-[2-[2-(4-chlorophenyl)-4-oxo-chromen-3-yl]oxyacetyl]phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)C(=O)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H18ClNO5/c1-15(28)27-19-12-8-16(9-13-19)21(29)14-31-25-23(30)20-4-2-3-5-22(20)32-24(25)17-6-10-18(26)11-7-17/h2-13H,14H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,20,21,19,22,27,31,7,9,28,30,6,10,13,2,8,26,29,5,18,11,23,16,25,15,32,4,3,12,17,14,24/E:(6,7)(8,9)(10,11)(12,13)/rA:32nCCONCCCCCCCOCOCCOCCCCCCOCCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈ClNO₅
All Atoms:	50
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9162
Area:	672.978
Solvation:	-5.90828
Coulombic:	-54.3308

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	447.867
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.07
LogP (Chemaxon):	4.27

Name Annotations

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

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