8461848
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6.7619
4.6783
12.7619
10.7619
4.6783
11.2619
11.2619
12.2619
12.2619
9.7619
9.2619
9.2619
7.7619
8.2619
8.2619
6.7619
6.2619
5.2619
3.732
3.732
2.866
2.866
2
2
10.6793
11.3695
11.3695
10.6793
12.1542
12.8445
12.8445
12.1542
9.5719
9.5719
7.9519
7.9519
6.4519
2.866
2.866
1.4631
1.4631
1.232
1.1708
-0.5
-0.5
-0.4387
0.366
-1.366
-1.366
0.366
-0.5
-1.366
0.366
-0.5
-1.366
0.366
-0.5
0.366
0.366
0.866
-0.134
1.366
-0.634
0.866
-0.134
-1.5781
-1.9766
0.9766
0.5781
-1.9766
-1.5781
0.5781
0.9766
-1.903
0.903
-1.903
0.903
-1.0369
1.986
-1.254
1.176
-0.444
8
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8
2
2
5
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0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
447
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B20004400000000000000000000000001600000003C608000000000005801F400001E06000000000C0AE1DE0630C1B3081408A4032462440083F0A0610A3848983C3864980A20A2E09191C72008608000F8C8071080000E08000000000001001000000000000200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloro-vinyl]phenyl]morpholine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]phenyl]morpholine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloroethenyl]phenyl]morpholine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloranyl-ethenyl]phenyl]morpholine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-chloro-vinyl]phenyl]morpholine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H17ClN2OS/c20-16(19-21-17-3-1-2-4-18(17)24-19)13-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h1-8,13H,9-12H2/b16-13-
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WQWIAYUCIJYKFA-SSZFMOIBSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
356.075012
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H17ClN2OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
356.86908
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COCCN1C2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COCCN1C2=CC=C(C=C2)/C=C(/C3=NC4=CC=CC=C4S3)\Cl
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
356.075012
24
0
0
0
1
1
0
0
1
1