CCCCN1CCC2=C(C1)C=C(C=C2)C#N
이름: 2-butyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
SMILES: CCCCN1CCC2=C(C1)C=C(C=C2)C#N

Molecular Processing

Molecular formula
C14H18N2
Molecular weight
214.31
Exact mass
214.147
XLogP
2.72
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.05

Supplementary Information

InChIKey: HWPBJQCGTNVQQO-UHFFFAOYSA-N
동의어
CHEMBL4083890SCHEMBL3348927HWPBJQCGTNVQQO-UHFFFAOYSA-NBDBM502672012-Butyl-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
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