이름: N-{1-[3-(3-nitrophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propyl}cyclopentanecarboxamide
SMILES:
CCC(NC(=O)C1CCCC1)c1nnc(-c2cccc([N+](=O)[O-])c2)[nH]c1=OMolecular Processing
Molecular formula
C18H21N5O4
Molecular weight
371.4
Exact mass
371.1594
XLogP
2.5
TPSA
130.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
97.88
Supplementary Information
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