Chemical ID: 7125219

Cc1cc(cc(c1Cl)C)OCC(C[NH2+]C(C)C)O
Chemical ID:
7125219
Name [?]:
[3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(C[NH2+]C(C)C)O
InChi [?]:
InChI=1/C14H22ClNO2/c1-9(2)16-7-12(17)8-18-13-5-10(3)14(15)11(4)6-13/h5-6,9,12,16-17H,7-8H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:16,17,1,9,3,5,13,11,15,2,6,12,4,7,8,14,18,10/E:(1,2)(3,4)(5,6)(10,11)/rA:18cCCCCCCCClCOCCCN+CCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23ClNO2+
All Atoms:41
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-24.7107
Area:489.143
Solvation:-36.9393
Coulombic:11.9344
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.791
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.84
LogP (Chemaxon):3.25

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