C1CCC2=C(C1)C(=NC=N2)Cl
CAS: 1125-62-8
Nom: 4-chloro-5,6,7,8-tetrahydroquinazoline
SMILES: C1CCC2=C(C1)C(=NC=N2)Cl

Molecular Processing

Molecular formula
C8H9ClN2
Molecular weight
168.63
Exact mass
168.0454
XLogP
2.01
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
43.68

Supplementary Information

InChIKey: AHCZEYDUHAFFKD-UHFFFAOYSA-N
Synonymes
4-Chloro-5,6,7,8-tetrahydroquinazoline1125-62-8DTXSID40503348RefChem:98458DTXCID30454158890-948-9MFCD127559234-Chloro-5,6,7,8-tetrahydro-quinazolineSCHEMBL855087SCHEMBL30666837AHCZEYDUHAFFKD-UHFFFAOYSA-NBAA12562AKOS010640705AB65892BS-22394SY024722DB-358080CS-0076025EN300-93264N12394F329725F1905-0051Z813021224
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→