Chemical ID: 4648345

c1ccc(cc1)C(=O)COC(=O)CN2CC(=O)Oc3c2cccc3
Chemical ID:
4648345
Name [?]:
phenacyl 2-(9-oxo-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)acetate
SMILES [?]:
c1ccc(cc1)C(=O)COC(=O)CN2CC(=O)Oc3c2cccc3
InChi [?]:
InChI=1/C18H15NO5/c20-15(13-6-2-1-3-7-13)12-23-17(21)10-19-11-18(22)24-16-9-5-4-8-14(16)19/h1-9H,10-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,13,15,9,4,20,7,19,11,16,14,8,12,17,10,18/E:(2,3)(6,7)/rA:24cCCCCCCCOCOCOCNCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;s14;s15;d16;s16;s18;s14s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.97441
Area:534.137
Solvation:-5.37901
Coulombic:-53.0143
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.315
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):2.16

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