이름: N-(benzylcarbonyl)-5-chloro-2-hydroxymethyl aniline
SMILES:
O=C(Cc1ccccc1)Nc1cc(Cl)ccc1COMolecular Processing
Molecular formula
C15H14ClNO2
Molecular weight
275.74
Exact mass
275.0713
XLogP
3.01
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
76.15
Supplementary Information
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