이름: (E)-2-[5-(3-bromo-propylidene)-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol
SMILES:
CC(C)(O)c1ccc2c(c1)/C(=C/CCBr)c1cccnc1CO2Molecular Processing
Molecular formula
C19H20BrNO2
Molecular weight
374.28
Exact mass
373.0677
XLogP
4.42
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
95.75
Supplementary Information
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