이름: 1-chloromethyl-3,4,5,5a,6,7-hexahydro-9-methoxy-2H-naphth[1,2-d]azepin-2-one
SMILES:
COc1ccc2c(c1)CCC1CCNC(=O)C(CCl)=C21Molecular Processing
Molecular formula
C16H18ClNO2
Molecular weight
291.78
Exact mass
291.1026
XLogP
2.77
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
80.07
Supplementary Information
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