Chemical ID: 7204919

CCC(c1ccccc1)OCC(C[NH2+]C(C)C)O
Chemical ID:
7204919
Name [?]:
[2-hydroxy-3-(1-phenylpropoxy)propyl]-isopropyl-ammonium
SMILES [?]:
CCC(c1ccccc1)OCC(C[NH2+]C(C)C)O
InChi [?]:
InChI=1/C15H25NO2/c1-4-15(13-8-6-5-7-9-13)18-11-14(17)10-16-12(2)3/h5-9,12,14-17H,4,10-11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,17,2,7,6,8,5,9,13,11,15,4,12,3,14,18,10/E:(2,3)(6,7)(8,9)/rA:18cCCCCCCCCCOCCCN+CCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s11;s12;s13;s14;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H26NO2+
All Atoms:44
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:-24.4763
Area:483.079
Solvation:-36.5533
Coulombic:9.49317
Bond Count [?]
All:18
Single:15
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:252.372
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.44
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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