C1=CC=C2C(=C1)C=CN=C2C#N
CAS: 1198-30-7
Название: isoquinoline-1-carbonitrile
SMILES: C1=CC=C2C(=C1)C=CN=C2C#N

Molecular Processing

Molecular formula
C10H6N2
Molecular weight
154.17
Exact mass
154.0531
XLogP
2.11
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.46

Supplementary Information

InChIKey: HJHXYSBRTVFEDD-UHFFFAOYSA-N
Синонимы
1-IsoquinolinecarbonitrileRefChem:433383627-280-2isoquinoline-1-carbonitrile1198-30-71-CyanoisoquinolineIsoquinaldonitrileMFCD00134166isoquinolinecarbonitrileY94LJ44YSDUNII-Y94LJ44YSDNSC 203335NSC-203335isoquinaldinic nitrile1-cyano-isoquinolineNSC203335Maybridge1_0021141-isoquinoline carbonitrileBIDD:GT0021SCHEMBL251028orb3023424SCHEMBL7494076SCHEMBL20265243SCHEMBL29358794HMS547I021-Isoquinolinecarbonitrile, 99%DTXSID20308378CCG-45292SBB002487STK774048
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