Chemical ID: 7204857

CCC(C)c1ccccc1OCC(C[NH2+]C(C)(C)C)O
Chemical ID:
7204857
Name [?]:
[2-hydroxy-3-(2-sec-butylphenoxy)-propyl]-tert-butyl-ammonium
SMILES [?]:
CCC(C)c1ccccc1OCC(C[NH2+]C(C)(C)C)O
InChi [?]:
InChI=1/C17H29NO2/c1-6-13(2)15-9-7-8-10-16(15)20-12-14(19)11-18-17(3,4)5/h7-10,13-14,18-19H,6,11-12H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,17,18,19,2,7,8,6,9,14,12,3,13,5,10,16,15,20,11/E:(3,4,5)/rA:20cCCCCCCCCCCOCCCN+CCCCO/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30NO2+
All Atoms:50
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:-22.4105
Area:522.777
Solvation:-35.4799
Coulombic:9.87095
Bond Count [?]
All:20
Single:17
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:280.426
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):3.46

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Descriptor Annotations

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