NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-{[(4-chlorophenyl)methyl]amino}propanenitrile
|
|
|
IUPAC Traditional name
|
3-{[(4-chlorophenyl)methyl]amino}propanenitrile
|
|
|
Synonyms
|
3-(4-Chlorobenzylamino)propionitrile
|
3-(4-氯苄基氨基)丙腈
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.16367942
|
LogD (pH = 7.4)
|
1.675843
|
Log P
|
1.9085842
|
Molar Refractivity
|
53.8741 cm3
|
Polarizability
|
20.918367 Å3
|
Polar Surface Area
|
35.82 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent