C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CO)C1=O
SMILES: C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)CO)C1=O

Molecular Processing

Molecular formula
C25H29Cl2NO2
Molecular weight
446.42
Exact mass
445.1575
XLogP
6.4
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
123.93

Supplementary Information

상세 정보 불러오는 중…

9개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→