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Chemical ID: 6566259
Chemical ID:
6566259
Name [?]:
4-(5-phenyloxazol-2-yl)benzaldehyde
SMILES [?]:
c1ccc(cc1)c2cnc(o2)c3ccc(cc3)C=O
InChi [?]:
InChI=1/C16H11NO2/c18-11-12-6-8-14(9-7-12)16-17-10-15(19-16)13-4-2-1-3-5-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,16,13,17,8,18,15,4,12,7,10,9,19,11/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCCNCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22634 |
Area: | 451.431 |
Solvation: | -3.05945 |
Coulombic: | -23.5085 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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