Chemical ID: 5789355

c1ccc(cc1)c2c(c3ccc(cc3oc2=O)O)Cc4ccc(cc4)Cl
Chemical ID:
5789355
Name [?]:
4-[(4-chlorophenyl)methyl]-7-hydroxy-3-phenyl-chromen-2-one
SMILES [?]:
c1ccc(cc1)c2c(c3ccc(cc3oc2=O)O)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15ClO3/c23-16-8-6-14(7-9-16)12-19-18-11-10-17(24)13-20(18)26-22(25)21(19)15-4-2-1-3-5-15/h1-11,13,24H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,22,24,11,10,19,13,20,4,23,12,9,8,14,7,16,26,18,17,15/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCCCCCCOCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;s12;s8;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0332
Area:533.038
Solvation:-3.29274
Coulombic:-38.6168
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:362.805
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.73
LogP (Chemaxon):6.11

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Descriptor Annotations

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