이름: title compound
SMILES:
CCNc1ccc(C#Cc2c(Cl)ncnc2CC)cn1Molecular Processing
Molecular formula
C15H15ClN4
Molecular weight
286.77
Exact mass
286.0985
XLogP
2.92
TPSA
50.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
80.8
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→