9570225
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255
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2.866
6.3301
3.732
4.5981
5.4641
6.3301
6.3301
5.4641
4.5981
7.2241
5.4641
4.5981
7.2241
4.5981
3.732
5.4641
8.1301
8.1301
5.4641
3.732
4.5981
2
6.3301
7.2169
5.4641
7.2169
4.0611
6.001
4.0611
8.6659
8.6659
3.1951
4.5981
1.69
1.4631
2.31
5.7101
6.3301
6.9501
-0.7673
-2.7673
1.7327
0.2327
0.7327
2.2327
3.2327
1.7327
-0.7673
1.698
3.7327
2.2327
3.7673
3.2327
-1.2673
-1.2673
2.2118
3.2535
-2.2673
-2.2673
-2.7673
-1.2673
-3.7673
1.078
4.3527
4.3873
3.5427
-0.9573
0.5427
1.8998
3.5656
-2.5773
-3.3873
-0.7304
-1.5773
-1.8043
-3.7673
-4.3873
-3.7673
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
489
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00180000000C0C81980232C680620400A803A4724000920C00202200188801276CD80E26B284B59B81302066D81908E987D8D8818E81000002001010000200000400202000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]-2-naphthalenone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazinylidene]naphthalen-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
(1Z)-1-[(2,5-dimethoxyphenyl)hydrazono]naphthalen-2-one
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,19H,1-2H3/b20-18-
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
ULLJIFAIUSUJBP-ZZEZOPTASA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.116092
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C18H16N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.33124
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC(=C(C=C1)OC)NN=C2C(=O)C=CC3=CC=CC=C32
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC(=C(C=C1)OC)N/N=C/2\C(=O)C=CC3=CC=CC=C32
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
59.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.116092
23
0
0
0
1
1
0
0
1
4