5867566
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8
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6
1
1
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1
1
1
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5
9
3
8
27
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5
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7
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23
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24
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25
12
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38
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1
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3
-1
2
5
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1
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5
255
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4.5981
6.3301
6.3301
5.4641
5.4641
4.5981
6.3301
7.1962
3.732
4.5981
6.3301
5.4641
8.0622
7.1962
2.866
3.732
8.9282
8.0622
2
2.866
8.9282
2
4.0611
6.8671
4.0611
6.8671
5.7932
5.4641
8.0622
6.6592
2.866
4.269
9.4651
8.0622
1.4631
2.866
9.4651
1.4631
0.25
1.25
0.25
-1.25
-0.25
-1.75
-1.75
1.75
-0.25
-2.75
-2.75
-3.25
1.25
2.75
0.25
-1.25
1.75
3.25
-0.25
-1.75
2.75
-1.25
-1.44
-1.44
-3.06
-3.06
1.56
-3.87
0.63
3.06
0.87
-1.56
1.44
3.87
0.06
-2.37
3.06
-1.56
8
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
337
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B20000000000000000000000000000000000000003060C0000000000000015000001E00180000000C0C81980030C680620400A00224624000920C00202200188800266C980C26A284B19B823820E4D81108E80790C0200E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
phenyl (Z)-N-phenylbenzenecarbohydrazonate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(Z)-N-phenylbenzenecarbohydrazonic acid phenyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
phenyl (Z)-N-phenylbenzenecarbohydrazonate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
phenyl (Z)-N-phenylbenzenecarbohydrazonate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(Z)-N-phenylbenzenecarbohydrazonic acid phenyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H16N2O/c1-4-10-16(11-5-1)19(22-18-14-8-3-9-15-18)21-20-17-12-6-2-7-13-17/h1-15,20H/b21-19-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
POUBLLASFVPRSF-VZCXRCSSSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
288.126263
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H16N2O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
288.34314
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)OC3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2)/OC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
33.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
288.126263
22
0
0
0
1
1
0
0
1
1