Название: 7-allylamino-5-ξ-hydroxy-6,7,8,9-tetrahydro [5H] benzocycloheptene
SMILES:
C=CCNC1CCc2ccccc2C(O)C1Molecular Processing
Molecular formula
C14H19NO
Molecular weight
217.31
Exact mass
217.1467
XLogP
2.2
TPSA
32.26
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
66.33
Supplementary Information
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