60854
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255
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7.039
2
12.1669
6.173
4.4409
2.6671
10.5833
5.3069
6.173
5.3069
4.4409
7.039
7.039
3.5749
7.905
3.4718
9.637
8.771
9.637
7.905
10.5833
2.4933
8.771
11.1669
4.1397
2.1827
3.829
2.8505
6.385
6.7835
5.7054
4.9084
4.2288
3.8303
4.9084
5.7054
7.251
7.6496
6.8269
6.4284
8.771
10.3322
11.1207
8.771
10.7759
4.7463
1.576
4.2431
2.6579
3.7478
-1.584
2.7478
0.2479
-0.7521
-0.847
3.5526
0.7479
-0.7521
-1.2522
0.2479
0.7479
1.7478
-1.2522
2.2478
-2.2409
2.2478
1.7478
3.2478
3.2478
1.9431
-2.4471
3.7478
2.7478
-2.9852
-3.3976
-3.9357
-4.1419
-1.3348
-0.6445
1.2228
1.2228
0.8305
0.1402
-1.7271
-1.7271
0.1652
0.8555
2.3305
1.6402
1.1278
1.3762
1.6339
4.3678
4.1419
-2.8573
-3.5255
-4.3972
-4.7312
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
6
14
15
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6
22
14
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25
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28
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
573
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA000440000000000000000000000000162C000003C608000000000005801F400001E06104000000C0AC1DA2431F1D3C00000AC02277270008300102107004998392866988860B2C19F9194200C609402C8C8071C88C08E0C0002000207000018000400040E0000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-indolin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydroindol-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-6-chloro-oxindole
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
MVWVFYHBGMAFLY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
412.11246
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C21H21ClN4OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
412.93564
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
76.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
412.11246
28
0
0
0
0
0
0
0
1
3