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Chemical ID: 5789355
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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