Chemical ID: 4908667

c1ccc(cc1)C(=O)N2CCC3=CC(=O)OC3C2
Chemical ID:
4908667
Name [?]:
4-benzoyl-7-oxa-4-azabicyclo[4.3.0]non-9-en-8-one
SMILES [?]:
c1ccc(cc1)C(=O)N2CCC3=CC(=O)OC3C2
InChi [?]:
InChI=1/C14H13NO3/c16-13-8-11-6-7-15(9-12(11)18-13)14(17)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,13,18,4,12,17,14,7,9,15,8,16/E:(2,3)(4,5)/rA:18cCCCCCCCONCCCCCOOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;s14;s12s16;s9s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:6.98849
Area:413.354
Solvation:-3.34535
Coulombic:-37.2024
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.258
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):0.98

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