Chemical ID: 4937963

c1ccc(cc1)CC(=O)c2ccc3c(c2)oc(=O)[nH]3
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

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Descriptor Annotations

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