66203830
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3.8047
4.76
4.76
2.1953
4
3
3.866
3.866
3
5.666
5.666
3.5
2.5
2.134
3
2.134
4
2
3.5
2.5
5.8751
6.2769
6.2769
5.8751
1.597
3
1.597
4.62
1.38
2.19
3.69
4.62
0.2315
1.7804
3.8498
0.2315
-3.3128
1.8151
2.3151
3.3151
0.8151
2.2943
3.3359
-0.7147
-0.7147
2.3151
3.8151
3.3151
-1.5808
-1.5808
-2.4468
-2.4468
1.7106
2.4004
3.2298
3.9196
2.0051
4.4351
3.6251
-1.5808
-1.5808
-2.9837
-3.8498
-3.3128
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
4
4
6
6
7
8
12
12
13
14
15
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19
9
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7
14
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
357
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
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073300040000000000000000000000000016000000034608000000000005891F400001E04100000000C0CA1DE0230C7B2481408A4032462440083F8A0612A3848983C36EC980D26A2E4B19B86382EE6D011EAE807B0C0300E00008100200841000001020040108200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-benzothiazol-6-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-benzothiazol-6-amine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-benzothiazol-6-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-benzothiazol-6-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-benzothiazol-6-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H12N2O2S/c16-9-4-5-11-13(8-9)20-15(17-11)10-2-1-3-12-14(10)19-7-6-18-12/h1-5,8H,6-7,16H2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
LUOARORGKREGQQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
284.061949
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H12N2O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
284.33298
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COC2=C(C=CC=C2O1)C3=NC4=C(S3)C=C(C=C4)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COC2=C(C=CC=C2O1)C3=NC4=C(S3)C=C(C=C4)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
85.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
284.061949
20
0
0
0
0
0
0
0
1
1