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Chemical ID: 7462121
Chemical ID:
7462121
Name [?]:
4-(2-hydroxyphenyl)-6-phenyl-1H-pyrimidin-2-one
SMILES [?]:
c1ccc(cc1)c2cc(nc(=O)[nH]2)c3ccccc3O
InChi [?]:
InChI=1/C16H12N2O2/c19-15-9-5-4-8-12(15)14-10-13(17-16(20)18-14)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,3,5,15,18,8,4,14,7,9,19,11,13,10,20,12/E:(2,3)(6,7)/rA:20nCCCCCCCCCNCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s10;d11;s7s11;s9;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O2 |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05173 |
Area: | 449.162 |
Solvation: | -3.17732 |
Coulombic: | -46.5175 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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