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Chemical ID: 4937963
Chemical ID:
4937963
Name [?]:
6-(2-phenylacetyl)-3H-benzooxazol-2-one
SMILES [?]:
c1ccc(cc1)CC(=O)c2ccc3c(c2)oc(=O)[nH]3
InChi [?]:
InChI=1/C15H11NO3/c17-13(8-10-4-2-1-3-5-10)11-6-7-12-14(9-11)19-15(18)16-12/h1-7,9H,8H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,12,7,15,4,10,13,8,14,17,19,9,18,16/E:(2,3)(4,5)/rA:19nCCCCCCCCOCCCCCCOCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43707 |
Area: | 436.705 |
Solvation: | -3.48054 |
Coulombic: | -40.7385 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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