2439209
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7.1962
5.4641
3.732
4.5981
7.1962
4.5981
5.4641
2.866
4.5981
3.732
5.4641
4.5981
3.732
5.4641
2.866
6.3301
3.732
2
2.866
3.732
2
6.3301
2.866
4.5981
5.4641
3.1215
3.52
6.0747
5.6762
5.7741
6.001
5.1541
2.3291
4.269
1.4631
4.269
1.4631
4.0611
3.486
2.866
2.246
-4.75
-5.75
-1.75
1.75
-2.75
-0.25
-2.75
1.75
-3.25
0.25
-1.75
-1.25
1.25
0.25
2.75
-3.25
3.25
3.25
4.75
4.25
4.25
-4.25
5.75
-4.25
-4.75
0.3577
-0.3326
-1.8577
-1.1674
-0.2869
0.56
0.7869
1.44
2.94
2.94
4.56
4.56
-4.56
5.75
6.37
5.75
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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
613
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BB000060000000000000000000000000000000000304000000000000000010000001E02180000000C0AC1980432C083C00000A802357350009200002102001A88008864D8486022C091B1D42008609E00C8C9071080000E08000000000000001000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4,5-dichloro-6-oxo-pyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4,5-dichloro-6-oxo-1-pyridazinyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H16Cl2N4O3/c1-10-3-5-11(6-4-10)20-13(23)8-21(2)14(24)9-22-16(25)15(18)12(17)7-19-22/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
IOJBBOQIPQPVEF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.059946
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H16Cl2N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
383.22924
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
82.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.059946
25
0
0
0
0
0
0
0
1
3