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Chemical ID: 5172930
Chemical ID:
5172930
Name [?]:
2-methyl-4-phenyl-1,3-oxazin-6-one
SMILES [?]:
Cc1nc(cc(=O)o1)c2ccccc2
InChi [?]:
InChI=1/C11H9NO2/c1-8-12-10(7-11(13)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,2,9,4,6,3,7,8/E:(3,4)(5,6)/rA:14nCCNCCCOOCCCCCC/rB:s1;d2;s3;d4;s5;d6;s2s6;s4;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94932 |
Area: | 358.574 |
Solvation: | -2.01504 |
Coulombic: | -24.4576 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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