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9.7942
16.4221
5.4641
14.9221
2
3.732
13.3385
13.3385
14.9221
6.3301
4.5981
12.3923
12.3923
11.5263
10.6603
11.5263
13.9221
10.6603
8.9282
7.1962
8.0622
8.9282
7.1962
8.0622
3.732
5.4641
3.732
2.866
2.866
2
2
15.4221
2.866
16.9221
11.5263
13.5311
11.5263
10.1233
8.0622
9.4651
6.6592
8.0622
15.2321
6.3301
4.5981
4.269
2.866
1.4631
1.4631
16.3852
17.2321
17.4591
2
0.306
-1.56
-0.194
-2.426
1.806
1.806
0.1108
-1.4987
-0.694
-1.694
-1.694
-0.194
-1.194
0.306
-0.194
-1.694
-0.694
-1.194
-0.194
-1.194
0.306
-1.194
-0.194
-1.694
-1.194
-1.194
-0.194
0.306
-1.694
-0.194
-1.194
-1.56
1.306
-2.426
0.926
0.7001
-2.314
-1.504
0.926
-1.504
0.116
-2.314
-0.157
-2.314
-2.314
0.116
-2.314
0.116
-1.504
-2.736
-2.963
-2.116
2.426
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
731
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB8000000000000000000000000000001600000003060C000000000005801F400001E00100800000C0C819E0233DEB6C99600A80324F27C0082882DA532A0099921367CD98C6EB2C4BD9B967928EED51B48F9A7BCD8238E00400042000000200080008400000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-[[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]anilino]-oxomethyl]amino]benzoic acid
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
3-[[4-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]oxy]phenyl]carbamoylamino]benzoic acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H19N5O6/c1-33-23(32)28-21-26-18-10-9-17(12-19(18)27-21)34-16-7-5-14(6-8-16)24-22(31)25-15-4-2-3-13(11-15)20(29)30/h2-12H,1H3,(H,29,30)(H2,24,25,31)(H2,26,27,28,32)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
GUDLICATRRESCW-UHFFFAOYSA-N
Log P
XLogP3
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
461.133533
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H19N5O6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
461.42686
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
155
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
461.133533
34
0
0
0
0
0
0
0
1
15