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Compound 30
  CheckMol                        TMF02:r0:m0
MF=C8H11N5O3 MW=225.21
 16 17  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163   -1.0972   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5659   -2.5062   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4946   -0.7738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5822   -3.6034   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2569    0.5313   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5110   -1.8710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0606   -3.2800   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1318   -5.0124   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7352    0.2310   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8969   -1.2473   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2019   -1.9865   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5070   -1.2242   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8121   -1.9634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1171   -1.2011   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4222   -1.9403   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  1  0  0
  4  6 01  0  1  0  0
  4  7 02  0  2  0  0
  5  8 01  0  1  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11 01  0  1  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7  8 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

Acyclovir

₹ 0.00 0.00

Chemical Name - Acyclovir
Mol Weight - 225.207
Smiles - NC(Nc1c2ncn1COCCO)=NC2=O

Property Name	Property Value
Mol Name	Acyclovir
Molweight	225.207
Monoisotopic Mass	225.08619
Clogp	-1.445
Clogs	-1.617
H Acceptors	8
H Donors	3
Total Surface Area	166.05
Relative Psa	0.55537
Polar Surface Area	114.76
Druglikeness	2.7874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.625
Molecular Flexibility	0.48466
Molecular Complexity	0.77117
Fragments	1
Non H Atoms	16
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	5
Aromatic Nitrogens	2
Basic Nitrogens	2
Smiles	NC(Nc1c2ncn1COCCO)=NC2=O
InChIKey	InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChI	MKUXAQIIEYXACX-UHFFFAOYSA-N

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Acyclovir