1983
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
8
8
7
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
2
3
3
3
4
4
5
5
6
6
7
7
8
8
10
11
11
11
9
20
10
4
10
14
5
6
7
12
8
13
9
15
9
16
11
17
18
19
1
1
2
1
1
1
2
1
1
1
2
1
2
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
2.866
4.5981
2.866
2.866
2
3.732
2
3.732
2.866
3.732
3.732
1.4631
4.269
2.3291
1.4631
4.269
4.352
3.732
3.112
2.3291
-2.595
1.405
1.405
0.405
-0.095
-0.095
-1.095
-1.095
-1.595
1.905
2.905
0.215
0.215
1.715
-1.405
-1.405
2.905
3.525
2.905
-2.905
8
8
8
8
8
8
4
4
5
6
7
8
5
6
7
8
9
9
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
139
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0723000000000000000000000000000000000000000300000000000000000010000001E0010080000080C81900032C682C00200880025525000820000212200088800066C88082622C2919384700864D411C8D807B040000000400000000000000080000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxyphenyl)acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxyphenyl)acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxyphenyl)acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxyphenyl)ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxyphenyl)acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
RZVAJINKPMORJF-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
0.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
151.063329
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C8H9NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
151.16256
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=C(C=C1)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=C(C=C1)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
49.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
151.063329
11
0
0
0
0
0
0
0
1
6