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138849-15-7 | Carbamic acid, [[3-(2-aminoethyl)-1H-indol-5-yl]carbonyl]- (9CI)
CAS No: 138849-15-7 Catalog No: AG0019P2 MDL No:
Product Description
Catalog Number:
AG0019P2
Chemical Name:
Carbamic acid, [[3-(2-aminoethyl)-1H-indol-5-yl]carbonyl]- (9CI)
CAS Number:
138849-15-7
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
IUPAC Name:
[3-(2-aminoethyl)-1H-indole-5-carbonyl]carbamic acid
InChI:
InChI=1S/C12H13N3O3/c13-4-3-8-6-14-10-2-1-7(5-9(8)10)11(16)15-12(17)18/h1-2,5-6,14H,3-4,13H2,(H,15,16)(H,17,18)
InChI Key:
YKLBFADPWOYVNP-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cc(cc2)C(=O)NC(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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