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Chemical ID: 4585852
Chemical ID:
4585852
Name [?]:
1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccccc2O
InChi [?]:
InChI=1/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,7,8,4,11,16,9,17,10/E:(2,3)(6,7)/rA:17nCCCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52316 |
Area: | 398.952 |
Solvation: | -3.45065 |
Coulombic: | -25.964 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 224.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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