Cc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1
SMILES: Cc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1

Molecular Processing

Molecular formula
C19H16N4O
Molecular weight
316.36
Exact mass
316.1324
XLogP
3.1
TPSA
76.86
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
91.19

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→