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lotronex hydrochloride

lotronex hydrochloride

CAS: 122852-69-1

Formula: C17H19ClN4O

SMILES: Cl[H].CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)N=CN1)CC2

IUPAC: 5-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-1-one hydrochloride

InChI: InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H

Composition: C (61.72%), H (5.79%), Cl (10.72%), N (16.94%), O (4.84%)

Molar Mass: 330.82

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 330.1247389
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FNYQZOVOVDSGJH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.25
Topological Polar Surface Area 53.92
Polarizability 33.1
Ring Count 4
Rotatable Bond Count 2

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