2807308
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255
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6.3301
5.4641
2.866
5.4641
4.5981
4.5981
6.3301
4.5981
6.3301
5.4641
4.5981
3.732
5.4641
3.732
5.4641
4.5981
2
3.9875
4.386
6.5422
6.9407
4.386
3.9875
6.9407
6.5422
4.0611
6.001
3.1951
6.001
4.5981
1.69
1.4631
2.31
-0.25
3.25
-1.25
1.25
-0.25
1.75
1.75
2.75
2.75
0.25
-1.25
-1.75
-1.75
-2.75
-2.75
-3.25
-1.75
1.8577
1.1674
1.1674
1.8577
3.3326
2.6423
2.6423
3.3326
0.06
-1.44
-3.06
-3.06
-3.87
-1.2131
-2.06
-2.2869
8
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
257
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07330004000000000000000000000000000000000003C4000000000000000010000001E0410000000080CE1900633C683C004008400244240008208002122090888000F6C888E2622C4B19B8730286CD013D8E8279040000000000000000010000000000000002000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-methoxyphenyl)morpholine-4-carbothioamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-methoxyphenyl)-4-morpholinecarbothioamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-methoxyphenyl)morpholine-4-carbothioamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-methoxyphenyl)morpholine-4-carbothioamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-methoxyphenyl)morpholine-4-carbothioamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C12H16N2O2S/c1-15-11-5-3-2-4-10(11)13-12(17)14-6-8-16-9-7-14/h2-5H,6-9H2,1H3,(H,13,17)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
QGDUMRUJGHBCRR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
1.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
252.093249
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C12H16N2O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
252.33264
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=CC=C1NC(=S)N2CCOCC2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=CC=C1NC(=S)N2CCOCC2
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
65.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
252.093249
17
0
0
0
0
0
0
0
1
2