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909776-37-0 | 1H-Pyrido[3',2':2,3]azocino[4,5-b]indole(9CI)
CAS No: 909776-37-0 Catalog No: AG006SHO MDL No:
Product Description
Catalog Number:
AG006SHO
Chemical Name:
1H-Pyrido[3',2':2,3]azocino[4,5-b]indole(9CI)
CAS Number:
909776-37-0
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
IUPAC Name:
3,8,19-triazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(12),2(7),3,5,8,10,13,15,17-nonaene
InChI:
InChI=1S/C16H11N3/c1-2-7-13-11(5-1)12-6-3-9-17-14-8-4-10-18-16(14)15(12)19-13/h1-10,19H
InChI Key:
SVLVRMPAOOJODC-UHFFFAOYSA-N
SMILES:
C1=Nc2ccc[nH]c2=C2C(=c3ccccc3=N2)C=C1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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