SMILES:
C(=C\c1cccc2c3c([nH]c12)C1CCN(CC1)C3)/c1ccccn1Molecular Processing
Molecular formula
C21H21N3
Molecular weight
315.42
Exact mass
315.1735
XLogP
4.43
TPSA
31.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
98.72
Supplementary Information
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