1346990
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6.3301
6.3301
9.7942
8.0622
8.0622
8.9282
8.0622
7.1962
7.1962
8.9282
8.0622
7.1962
8.9282
6.3301
7.1962
8.9282
5.4641
8.0622
3.732
4.5981
2.866
3.732
2
2.866
2
9.4651
6.6592
9.4651
6.3301
9.4651
5.4641
8.0622
4.5981
2.866
4.269
1.4631
2.866
1.4631
-3
0
0
3
0
1.5
-1
1.5
0.5
0.5
2
-1.5
-1.5
2
-2.5
-2.5
1.5
-3
1.5
2
2
0.5
1.5
0
0.5
1.81
-1.19
-1.19
2.62
-2.81
0.88
-3.62
2.62
2.62
0.19
1.81
-0.62
0.19
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
608
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B30000400000000000000000000000000000000003C6080000000000000014000001E02100000000C0A81982031C083C000008802255250008200002107000888010066C888202AC9D391842008688522C8C9A71080000E00000000020000000000000004000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5Z)-1-(3-chlorophenyl)-5-[(E)-3-phenylprop-2-enylidene]barbituric acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H13ClN2O3/c20-14-9-5-10-15(12-14)22-18(24)16(17(23)21-19(22)25)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,21,23,25)/b8-4+,16-11-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YRHCBLOEOXRQJT-MAHQCVNESA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
352.06147
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H13ClN2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
352.77112
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)/C=C/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
66.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
352.06147
25
0
0
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2
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0
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3