이름: 3-[2-(2,5-Dichloro-pyrimidin-4-ylamino)-5-morpholin-4-yl-phenoxy]-propionitrile
SMILES:
N#CCCOc1cc(N2CCOCC2)ccc1Nc1nc(Cl)ncc1ClMolecular Processing
Molecular formula
C17H17Cl2N5O2
Molecular weight
394.26
Exact mass
393.0759
XLogP
3.66
TPSA
83.3
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
100.53
Supplementary Information
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