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-1
11
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30
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255
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6.8671
8.5991
7.7331
4.269
7.7331
1.732
0
0.866
9.4651
8.9651
0.866
8.5991
9.4651
8.5991
7.7331
7.7331
9.4651
6.8671
10.2742
8.6561
7.7331
9.4651
8.5991
9.9651
6.8671
6.001
6.001
5.135
5.135
8.0622
9.6772
10.0757
8.3437
7.9451
10.0021
10.8638
8.0665
7.1962
10.0021
10.3296
6.001
6.001
4.5981
2.269
3
0
7.5
7.5
4.5
4.81
4.81
3.31
5.5
7.0388
4.31
4
4.5
3
5.5
2.5
2.5
6
6.0878
6.0878
1.5
1.5
1
7.0388
7
5.5
7.5
6
7
3.69
3.9174
4.6077
5.3923
6.0826
2.81
5.8962
5.8962
1.19
1.19
7.5404
4.88
8.12
5.69
4.5
8
8
8
8
3
8
8
8
8
8
8
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13
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
441
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B380007000000000000000000000000016000000030600000000000000001D000001E02040800000C16E19A263D90970C5400A1023067650002802D3117A009C800183A888A6E2281BB199730002CC00398A82790C0A00E04000000008100000800000001020000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MCCACAIVAXEFAL-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
478.978717
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H15Cl4N3O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
479.1414
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
93.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
476.981667
29
1
0
1
0
0
0
0
2
1