Chemical ID: 5781466

Cc1c(c(=O)c2ccc(cc2o1)OCc3ccccc3Cl)Oc4ccccc4
Chemical ID:
5781466
Name [?]:
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxy-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCc3ccccc3Cl)Oc4ccccc4
InChi [?]:
InChI=1/C23H17ClO4/c1-15-23(28-17-8-3-2-4-9-17)22(25)19-12-11-18(13-21(19)27-15)26-14-16-7-5-6-10-20(16)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,17,18,16,24,28,19,8,7,10,14,2,15,23,9,6,20,11,4,3,21,5,13,12,22/E:(3,4)(8,9)/rA:28nCCCCOCCCCCCOOCCCCCCCClOCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s20;s3;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3216
Area:597.495
Solvation:-3.61575
Coulombic:-35.4238
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:392.831
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.97
LogP (Chemaxon):5.66

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Descriptor Annotations

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