3-ethynyl-1H-indole

3-ethynyl-1H-indole

CAS: 62365-78-0

Formula: C10H7N

SMILES: C#CC1=CNC2=CC=CC=C12

IUPAC: 3-ethynyl-1H-indole

InChI: InChI=1S/C10H7N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h1,3-7,11H

Composition: C (85.08%), H (5.00%), N (9.92%)

Molar Mass: 141.173

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	141.057849229
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
InChIKey	UJJFTIBNCODKOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.32
Topological Polar Surface Area	15.79
Polarizability	18.23
Ring Count	2
Rotatable Bond Count	0

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