9614707
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9.7942
5.4641
6.3301
6.3301
7.1962
8.0622
3.732
2.866
3.732
2.866
4.5981
2
4.5981
2
5.4641
6.3301
4.5981
5.4641
6.3301
4.5981
5.4641
7.1962
8.0622
8.9282
8.9282
3.9441
4.3426
2.654
2.2554
3.52
3.1215
3.0781
3.4766
4.8101
5.2087
1.788
1.3894
4.386
3.9875
1.38
2
2.62
6.8671
4.0611
6.8671
4.0611
4.9272
5.7932
8.0622
9.4651
6.75
-0.75
3.75
4.75
6.25
6.75
-3.75
-4.25
-2.75
-5.25
-2.25
-5.75
-1.25
-6.75
0.25
0.75
0.75
2.25
1.75
1.75
3.25
5.25
4.75
5.25
6.25
-4.3326
-3.6423
-3.6674
-4.3577
-2.1674
-2.8577
-5.8326
-5.1423
-2.8326
-2.1423
-5.1674
-5.8577
-0.6674
-1.3577
-6.75
-7.37
-6.75
0.44
0.44
2.06
2.06
3.56
5.06
4.13
4.94
8
8
8
8
8
8
8
8
8
8
8
8
5
5
6
15
15
16
17
18
18
22
23
24
6
22
25
16
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25
0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
361
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
11
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA0000400000000000000000000000000000000003C400000000000000001C000001E02180000000C06E19A2633B690620400A20232636000920C022027001C9820366E980C26A285B39B82B820F4D81108E80780C0A00E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-chloro-N-[(E)-(4-octoxyphenyl)methyleneamino]pyridazin-3-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-chloro-N-[(E)-(4-octoxyphenyl)methylideneamino]-3-pyridazinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-chloro-N-[(E)-(4-octoxyphenyl)methylideneamino]pyridazin-3-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-chloranyl-N-[(E)-(4-octoxyphenyl)methylideneamino]pyridazin-3-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(6-chloropyridazin-3-yl)-[(E)-(4-octoxybenzylidene)amino]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H25ClN4O/c1-2-3-4-5-6-7-14-25-17-10-8-16(9-11-17)15-21-23-19-13-12-18(20)22-24-19/h8-13,15H,2-7,14H2,1H3,(H,23,24)/b21-15+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
MAHJDLLRNKSXPI-RCCKNPSSSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
6.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
360.171689
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H25ClN4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
360.881
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCCCCCCOC1=CC=C(C=C1)C=NNC2=NN=C(C=C2)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCCCCCCOC1=CC=C(C=C1)/C=N/NC2=NN=C(C=C2)Cl
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
59.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
360.171689
25
0
0
0
1
1
0
0
1
2