SMILES:
COc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=NOCc2ccccc2)N3)c1Molecular Processing
Molecular formula
C27H28N2O2
Molecular weight
412.53
Exact mass
412.2151
XLogP
6.52
TPSA
42.85
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
125.48
Supplementary Information
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