이름: ethyl 4-chloro-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILES:
CCOC(=O)c1cnc2c(c1Cl)CC(c1ccccc1)CC2Molecular Processing
Molecular formula
C18H18ClNO2
Molecular weight
315.8
Exact mass
315.1026
XLogP
4.18
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
86.41
Supplementary Information
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