4211080
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9
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255
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4.6783
11.2619
9.2619
4.6783
9.7619
9.7619
10.7619
10.7619
8.2619
7.7619
7.7619
6.2619
6.7619
6.7619
5.2619
3.732
3.732
2.866
2.866
2
2
9.1793
9.8695
9.8695
9.1793
11.3445
10.6542
10.6542
11.3445
8.0719
8.0719
6.4519
6.4519
2.866
2.866
1.4631
1.4631
0.8047
0
0
-0.8047
-0.866
0.866
-0.866
0.866
0
0.866
-0.866
0
0.866
-0.866
0
0.5
-0.5
1
-1
0.5
-0.5
-1.0781
-1.4766
1.4766
1.0781
1.0781
1.4766
-1.4766
-1.0781
1.403
-1.403
1.403
-1.403
1.62
-1.62
0.81
-0.81
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
4
4
9
9
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16
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
340
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B20004000000000000000000000000001600000003C608000000000005801F400001E04000000000C08E1DE0630C1B3081408A4032462440083F0A0610A3848983C3864980A20A2E09191872008608000F8C8071080000E08000000000001001000000000000200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C17H16N2OS/c1-2-4-16-15(3-1)18-17(21-16)13-5-7-14(8-6-13)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
UNGGLDZQUWFXEF-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
296.098334
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C17H16N2OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
296.38674
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COCCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
53.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
296.098334
21
0
0
0
0
0
0
0
1
1