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Chemical ID: 5575004
Chemical ID:
5575004
Name [?]:
(4-oxo-2-phenyl-chromen-3-yl) benzoate
SMILES [?]:
c1ccc(cc1)c2c(c(=O)c3ccccc3o2)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C22H14O4/c23-19-17-13-7-8-14-18(17)25-20(15-9-3-1-4-10-15)21(19)26-22(24)16-11-5-2-6-12-16/h1-14H
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,13,14,3,5,22,26,12,15,4,21,11,16,9,7,8,19,10,20,17,18/E:(3,4)(5,6)(9,10)(11,12)/rA:26nCCCCCCCCCOCCCCCCOOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s8;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7609 |
Area: | 532.24 |
Solvation: | -2.54508 |
Coulombic: | -41.3619 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.46 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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