Common name
(4-chlorophenyl)methanamine
IUPAC name
(4-chlorophenyl)methanamine
SMILES
C(c1ccc(cc1)Cl)N
Common name
(4-chlorophenyl)methanamine
IUPAC name
(4-chlorophenyl)methanamine
SMILES
C(c1ccc(cc1)Cl)N
INCHI
InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
FORMULA
C7H8ClN
Common name
(4-chlorophenyl)methanamine
IUPAC name
(4-chlorophenyl)methanamine
Molecular weight
141.598
clogP
2.096
clogS
-2.427
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01518 | Chloropyramine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; | For the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. |
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q7q_ligand.mol2 | 2q7q | 1 | -7.15 | [NH3+]Cc1ccc(cc1)Cl | 10 |
| 4cl6_ligand_2_0.mol2 | 4cl6 | 1 | -6.96 | Clc1ccc(cc1)C[NH3+] | 9 |
| 4yes_ligand_1_3.mol2 | 4yes | 1 | -6.82 | C([NH3+])c1ccc(cc1)Cl | 9 |
| 4x6m_ligand_1_7.mol2 | 4x6m | 1 | -6.79 | c1(ccc(cc1)C[NH3+])Cl | 9 |
| 1pzo_ligand_2_0.mol2 | 1pzo | 1 | -6.56 | [NH3+]Cc1ccc(Cl)cc1 | 9 |
| 2pvk_ligand_2_9.mol2 | 2pvk | 1 | -6.10 | [NH3+]Cc1ccc(cc1)Cl | 9 |
| 4axm_ligand_2_12.mol2 | 4axm | 1 | -5.84 | [NH3+]Cc1ccc(Cl)cc1 | 9 |
104 ,
11
