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13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ol

13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ol

CAS: 38089-93-9

Formula: C20H23ClN2O

SMILES: CN1CCC(CC1)C1(O)C2=C(CCC3=CC=CN=C13)C=C(Cl)C=C2

IUPAC: 13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ol

InChI: InChI=1/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3

Composition: C (70.06%), H (6.76%), Cl (10.34%), N (8.17%), O (4.67%)

Molar Mass: 342.87

Atom Count: 47

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 342.1498911
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HSLLZISLOQPUNP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.07
Topological Polar Surface Area 36.36
Polarizability 37.98
Ring Count 4
Rotatable Bond Count 1

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