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Chemical ID: 5757738
Chemical ID:
5757738
Name [?]:
5-hydroxy-2-phenyl-chromen-4-one
SMILES [?]:
c1ccc(cc1)c2cc(=O)c3c(cccc3o2)O
InChi [?]:
InChI=1/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,8,4,12,9,16,7,11,18,10,17/E:(2,3)(5,6)/rA:18nCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91323 |
Area: | 406.213 |
Solvation: | -3.24209 |
Coulombic: | -32.9761 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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