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Chemical ID: 6851747
Chemical ID:
6851747
Name [?]:
3-benzyloxy-2-(4-chlorophenyl)-chromen-4-one
SMILES [?]:
c1ccc(cc1)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15ClO3/c23-17-12-10-16(11-13-17)21-22(25-14-15-6-2-1-3-7-15)20(24)18-8-4-5-9-19(18)26-21/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,21,25,22,24,7,4,20,23,12,17,10,19,9,26,11,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClO3 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8611 |
Area: | 554.026 |
Solvation: | -2.98953 |
Coulombic: | -30.191 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.805 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.2 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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