1965991
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10.2955
5.7807
6.7512
9.3493
8.4833
8.4833
7.6172
9.3493
8.4833
5.8852
6.7512
10.8791
10.2955
4.8025
7.6172
4.3958
4.9716
4.3025
11.8791
3.4013
4.9836
2.9945
4.5768
3.5823
6.7512
10.4881
4.8427
3.6859
11.8791
12.4991
11.8791
3.0368
5.6002
9.0202
4.9413
3.3301
-2.172
1.3713
0.072
-0.4335
1.0665
-0.4335
2.5665
1.0665
0.0665
1.5665
1.0665
1.5665
0.5665
-0.2382
-0.1359
0.0665
-1.0494
1.4733
0.7301
0.5665
-1.154
-1.8585
-2.0675
-2.772
-2.8765
2.1865
-0.8275
2.0797
0.7949
-0.0535
0.5665
1.1865
-0.6524
-1.7936
2.8765
-3.2736
-3.4429
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
700
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B300004000000000000000000000000012200000030400000000000004001C000001E02140000000C06819820330482500440A802A3723400820801A42500298801360AD80C263A857F1A863920A4C01188A98788C8F08E00000020000000000000004000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z)-6-[[5-(3-chlorophenyl)-2-furyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z)-6-[[5-(3-chlorophenyl)-2-furanyl]methylidene]-7-imino-2-methyl-5-isoxazolo[2,3-a]pyrimidinone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-7-imino-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z)-7-azanylidene-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-5-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(6Z)-6-[[5-(3-chlorophenyl)-2-furyl]methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H12ClN3O3/c1-10-7-16-21-18(23)14(17(20)22(16)25-10)9-13-5-6-15(24-13)11-3-2-4-12(19)8-11/h2-9,20H,1H3/b14-9-,20-17?
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ZOQMXKZAELZTFZ-FMVWKBIMSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
353.056719
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H12ClN3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
353.75918
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC2=NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)Cl)C(=N)N2O1
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)Cl)/C(=N)N2O1
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
78.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
353.056719
25
0
0
0
1
1
0
0
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4