C1CC2=C1C=CC(=C2)CCCCBr
이름: 3-(4-bromobutyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILES: C1CC2=C1C=CC(=C2)CCCCBr

Molecular Processing

Molecular formula
C12H15Br
Molecular weight
239.16
Exact mass
238.0357
XLogP
3.5
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.58

Supplementary Information

InChIKey: CBDUALHRIAANSR-UHFFFAOYSA-N
동의어
SCHEMBL231238CBDUALHRIAANSR-UHFFFAOYSA-N3-(4-bromobutyl)bicyclo[4.2.0]octa-1(6),2,4-triene
출처 보기 →
6개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→