6829043
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6
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1
5
-1
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5
255
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2
5.4641
2
4.5981
3.732
4.5981
3.732
5.4641
5.4641
3.732
4.5981
2.866
6.3301
3.732
2.866
4.5981
2.866
4.5981
3.732
6.001
3.1951
4.5981
2.556
2.3291
3.176
5.135
6.6401
6.8671
6.0201
5.135
3.732
-3.25
-3.25
-1.25
0.25
-0.25
1.25
1.75
2.75
1.75
2.75
3.25
1.25
3.25
-1.25
-1.75
-1.75
-2.75
-2.75
-3.25
1.44
3.06
3.87
1.7869
0.94
0.7131
-0.06
2.7131
3.56
3.7869
-1.44
-3.87
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
468
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C0732000060000000000000000000000000000000000304000000000000000010000001E02180000000C0E81980032C080620000A803A47240009204002002001888013066D848202281919180200060980008C9871080000E40000040000200008000008000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2,4-dichloro-6-[(2,5-dimethylphenyl)hydrazono]cyclohexa-2,4-dien-1-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2,4-dichloro-6-[(2,5-dimethylphenyl)hydrazinylidene]-1-cyclohexa-2,4-dienone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2,4-dichloro-6-[(2,5-dimethylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2,4-bis(chloranyl)-6-[(2,5-dimethylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2,4-dichloro-6-[(2,5-dimethylphenyl)hydrazono]cyclohexa-2,4-dien-1-one
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C14H12Cl2N2O/c1-8-3-4-9(2)12(5-8)17-18-13-7-10(15)6-11(16)14(13)19/h3-7,17H,1-2H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
WYQBYGOIPDXQLD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
294.032668
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C14H12Cl2N2O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
295.16388
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC(=C(C=C1)C)NN=C2C=C(C=C(C2=O)Cl)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC(=C(C=C1)C)NN=C2C=C(C=C(C2=O)Cl)Cl
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
41.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
294.032668
19
0
0
0
1
0
1
0
1
3