128682
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255
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6.9343
2.5381
8.7202
6.0682
5.2022
6.9343
5.2022
6.0682
6.0682
7.8003
4.3083
7.8443
4.3083
6.0522
3.4022
8.6663
5.2022
6.9343
7.8523
3.4022
6.9502
5.2022
6.9343
6.0682
6.8044
7.4018
8.1988
4.3154
8.3776
4.3154
5.5117
8.9763
9.2033
8.3563
4.6653
7.4712
2.8665
6.9478
4.6653
7.4712
6.0682
2
2.5405
8.7226
9.256
-0.0825
-0.6067
2.9625
-0.5826
-0.0825
0.9174
0.9174
1.4175
-1.5825
-0.5826
-0.6172
1.4243
1.4521
2.459
-0.1034
-0.0825
-2.0826
-2.0826
2.4659
0.9383
2.9867
-3.0826
-3.0826
-3.5826
-1.0076
-1.0575
-1.0575
-1.2372
1.1081
2.0721
2.7627
-0.6195
0.2275
0.4544
-1.7726
-1.7726
1.2503
3.6067
-3.3926
-3.3926
-4.2025
-0.2988
-1.2267
3.5826
2.6505
3
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
4
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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
419
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B00000000000000000000000000000000000000003C60C1000000000000B15000001C00100000000C28C1180432C083400000800224424000820000210200088800086488082022C0D1D1842008609000C8C8071080C00E88000040041200001000008008240000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(3-amino-5-ethyl-6-phenyl-6H-phenanthridin-8-yl)amine
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C21H21N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,21H,2,22-23H2,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
XYJODUBPWNZLML-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.173548
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C21H21N3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.41154
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN1C(C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN1C(C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
55.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
315.173548
24
1
0
1
0
0
0
0
1
1