Compound 41
  CheckMol                        TMF02:r0:m0
MF=C15H12N2O2 MW=252.27
 19 21  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393    1.2530   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    1.0402   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0827    2.5651   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    2.0686   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6360   -0.4137   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.6147    3.9717   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.2861    3.5816   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8228    1.6431   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0545   -0.8393   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0331    4.4209   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4965    5.0001   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5746    4.3382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420    0.1891   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3523    5.8985   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1773    6.4777   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5628    5.8512   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630    3.5935   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    6.9269   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7  1  0  1  0  0
  5  8  1  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  7 11 02  0  2  0  0
  7 12 01  0  1  0  0
  8 13  1  0  0  0  0
  9 14 02  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19 02  0  1  0  0
  8 11  1  0  1  0  0
 10 14 01  0  1  0  0
 16 19 01  0  1  0  0
M  END

2D Structure

Oxcarbazepine

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Chemical Name - Oxcarbazepine
Mol Weight - 252.272
Smiles - NC(N(c1c(C2)cccc1)c(cccc1)c1C2=O)=O

Property Name	Property Value
Mol Name	Oxcarbazepine
Molweight	252.272
Monoisotopic Mass	252.089878
Clogp	2.6201
Clogs	-4.95
H Acceptors	4
H Donors	1
Total Surface Area	187.6
Relative Psa	0.23934
Polar Surface Area	63.4
Druglikeness	2.0474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.42105
Molecular Flexibility	0.25166
Molecular Complexity	0.86118
Fragments	1
Non H Atoms	19
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Amides	2
Smiles	NC(N(c1c(C2)cccc1)c(cccc1)c1C2=O)=O
InChIKey	InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
InChI	CTRLABGOLIVAIY-UHFFFAOYSA-N

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1 — Oxcarbazepine | 2 — Oxcarbazepine