CC1(C(N(C2=CC=CC=C21)C)CC#N)C
이름: 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
SMILES: CC1(C(N(C2=CC=CC=C21)C)CC#N)C

Molecular Processing

Molecular formula
C13H16N2
Molecular weight
200.28
Exact mass
200.1313
XLogP
2.7
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
61.89

Supplementary Information

InChIKey: UZTDEFPEWCOPBO-UHFFFAOYSA-N
동의어
SCHEMBL2057111UZTDEFPEWCOPBO-UHFFFAOYSA-N(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-yl)acetonitrile
출처 보기 →
2개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→