SMILES:
N#Cc1cnc(NCc2ccccc2Cl)cc1NCC1CCC(CN)CC1Molecular Processing
Molecular formula
C21H26ClN5
Molecular weight
383.93
Exact mass
383.1877
XLogP
4.4
TPSA
86.76
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
110.72
Supplementary Information
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