386719
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2
8.6266
12.3302
11.9635
4.8601
7.6891
5.3569
5.6659
7.3132
7.0041
6.026
6.644
4.3628
4.0564
9.0315
8.3286
8.7096
10.0088
5.717
6.953
3.6812
3.0472
9.3759
10.6808
2.6669
2.3478
11.6582
13.3075
13.9795
4.8591
7.4907
10.5334
9.7744
5.1273
5.5254
6.3066
7.5427
7.1446
6.3634
3.8791
2.863
8.9135
9.789
9.8382
10.1563
10.9153
1.742
13.832
13.073
13.5203
14.3961
14.4386
-1.4367
1.4797
-1.3013
0.3915
1.4103
-1.4429
-0.123
0.8281
0.2929
-0.6582
-0.8661
1.036
-0.1204
0.8253
-0.2436
0.5251
-1.2342
-0.0319
-1.8172
1.9871
-0.8999
1.0571
-1.9799
-0.7724
-0.6915
0.2935
-0.5608
-1.0896
-1.8302
2.0303
-2.0303
0.2987
0.5421
-1.6256
-2.4068
-2.0087
1.7955
2.5767
2.1787
-1.4874
1.6491
-2.393
-2.4423
-1.5668
-1.103
-1.3464
0.4253
-0.7591
-0.5157
-2.2468
-2.2894
-1.4136
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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
708
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B300004000000000000000000000000016000000030608000000000005881FC00001E02100000000C0EA19E2232C8F2C99400A803A4F24C008280202507200899213066D80820FAC19791862188649000C8C9479CCEE0AEC000C26000120000800184C000240000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoic acid ethyl ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(9-chloro-2,5,11-trimethyl-4-oxo-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
ethyl 3-(9-chloranyl-2,5,11-trimethyl-4-oxidanylidene-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propanoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(9-chloro-4-keto-2,5,11-trimethyl-1,6-dihydropyrido[3,2-b]carbazol-3-yl)propionic acid ethyl ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H23ClN2O3/c1-5-29-18(27)9-7-15-13(4)25-22-11(2)19-16-10-14(24)6-8-17(16)26-21(19)12(3)20(22)23(15)28/h6,8,10,26H,5,7,9H2,1-4H3,(H,25,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
KGDYUZVBRFHQHP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.13972
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H23ClN2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.89332
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
410.13972
29
0
0
0
0
0
0
0
1
83