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116337-06-5 | 1H-Indole-4-carboxylic acid, 6-[(1-oxodecyl)amino]-
CAS No: 116337-06-5 Catalog No: AG000C7V MDL No:
Product Description
Catalog Number:
AG000C7V
Chemical Name:
1H-Indole-4-carboxylic acid, 6-[(1-oxodecyl)amino]-
CAS Number:
116337-06-5
Molecular Formula:
C19H26N2O3
Molecular Weight:
330.4213
IUPAC Name:
6-(decanoylamino)-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C19H26N2O3/c1-2-3-4-5-6-7-8-9-18(22)21-14-12-16(19(23)24)15-10-11-20-17(15)13-14/h10-13,20H,2-9H2,1H3,(H,21,22)(H,23,24)
InChI Key:
ZKPAQKOWCZELRL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Nc1cc(C(=O)O)c2c(c1)[nH]cc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.428g/mol
Monoisotopic Mass:
330.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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