Chemical ID: 5367223

CC(C)[NH2+]CC(C)(c1ccc(cc1)Cl)O
Chemical ID:
5367223
Name [?]:
[2-(4-chlorophenyl)-2-hydroxy-propyl]-isopropyl-ammonium
SMILES [?]:
CC(C)[NH2+]CC(C)(c1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C12H18ClNO/c1-9(2)14-8-12(3,15)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,7,9,13,10,12,5,2,8,11,6,14,4,15/E:(1,2)(4,5)(6,7)/rA:15cCCCN+CCCCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s6;s8;d9;s10;d11;d8s12;s11;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19ClNO+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-23.2812
Area:421.376
Solvation:-33.8156
Coulombic:16.8117
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.738
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):2.55

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