Chemical ID: 6800188

c1ccc2c(c1)nc(o2)N3CCC(CC3)C(=O)[O-]
Chemical ID:
6800188
Name [?]:
1-benzooxazol-2-ylpiperidine-4-carboxylate
SMILES [?]:
c1ccc2c(c1)nc(o2)N3CCC(CC3)C(=O)[O-]
InChi [?]:
InChI=1/C13H14N2O3/c16-12(17)9-5-7-15(8-6-9)13-14-10-3-1-2-4-11(10)18-13/h1-4,9H,5-8H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,13,5,4,16,8,7,10,17,18,9/E:(5,6)(7,8)(16,17)/rA:18nCCCCCCNCONCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N2O3-
All Atoms:31
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.9892
Area:415.581
Solvation:-44.3787
Coulombic:-20.828
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.254
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.34
LogP (Chemaxon):2.95

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