Cl.Cl.Cl.Cl.NCC1(Cc2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.NCC1(Cc2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.O
이름: compound
SMILES: Cl.Cl.Cl.Cl.NCC1(Cc2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.NCC1(Cc2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1.O

Molecular Processing

Molecular formula
C68H88Cl8N6O3
Molecular weight
1321.11
Exact mass
1316.4426
XLogP
15.32
TPSA
130.64
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
18
Heavy atoms
85
Rings
10
Aromatic rings
6
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
17
Covalent units
7
Fraction Csp3
0.441
Molar refractivity
365.13

Supplementary Information

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