C1CCC(CC1)(C(C2=CC(=CC(=C2)Cl)Cl)O)N
이름: (1-aminocyclohexyl)-(3,5-dichlorophenyl)methanol
SMILES: C1CCC(CC1)(C(C2=CC(=CC(=C2)Cl)Cl)O)N

Molecular Processing

Molecular formula
C13H17Cl2NO
Molecular weight
274.19
Exact mass
273.0687
XLogP
3.69
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.43

Supplementary Information

InChIKey: VZFWWMWZTRYYAE-UHFFFAOYSA-N
동의어
SCHEMBL64193VZFWWMWZTRYYAE-UHFFFAOYSA-N(1-amino-cyclohexyl)-(3,5-dichloro-phenyl)-methanol
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