O=c1c2ccccc2c2ccccc2n1CCCBr
Name: 5-(3-bromopropyl)-5,6-dihydro-6-oxophenanthridine
SMILES: O=c1c2ccccc2c2ccccc2n1CCCBr

Molecular Processing

Molecular formula
C16H14BrNO
Molecular weight
316.2
Exact mass
315.0259
XLogP
3.94
TPSA
22
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
84.13

Supplementary Information

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