이름: 5′-(5-cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3′-[3H]indol]-2′-ylidenecyanamide
SMILES:
Cn1c(C#N)ccc1-c1ccc2c(c1)C1(CCCCC1)C(=NC#N)N2Molecular Processing
Molecular formula
C20H19N5
Molecular weight
329.41
Exact mass
329.164
XLogP
4.07
TPSA
76.9
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97
Supplementary Information
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