5-chloro-2-(4-methylpiperazine-1-carbonyl)-1H-indole

5-chloro-2-(4-methylpiperazine-1-carbonyl)-1H-indole

CAS: 459168-41-3

Formula: C14H16ClN3O

SMILES: CN1CCN(CC1)C(=O)C1=CC2=CC(Cl)=CC=C2N1

IUPAC: 5-chloro-2-(4-methylpiperazine-1-carbonyl)-1H-indole

InChI: InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

Composition: C (60.54%), H (5.81%), Cl (12.76%), N (15.13%), O (5.76%)

Molar Mass: 277.75

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.0981898
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HUQJRYMLJBBEDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.75
Topological Polar Surface Area	39.34
Polarizability	30.24
Ring Count	3
Rotatable Bond Count	1

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