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isoquinolin-4-amine

isoquinolin-4-amine

CAS: 23687-25-4

Formula: C9H8N2

SMILES: NC1=C2C=CC=CC2=CN=C1

IUPAC: isoquinolin-4-amine

InChI: InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2

Composition: C (74.98%), H (5.59%), N (19.43%)

Molar Mass: 144.177

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 144.068748266
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ISIUXVGHQFJYHM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.05
Topological Polar Surface Area 38.91
Polarizability 18.16
Ring Count 2
Rotatable Bond Count 0

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