Chemical ID: 6710493

Cc1cc(ccc1Cl)OCC(C[NH+]2CCCC2)O
Chemical ID:
6710493
Name [?]:
1-(4-chloro-3-methyl-phenoxy)-3-(2,3,4,5-tetrahydropyrrol-1-yl)propan-2-ol
SMILES [?]:
Cc1cc(ccc1Cl)OCC(C[NH+]2CCCC2)O
InChi [?]:
InChI=1/C14H20ClNO2/c1-11-8-13(4-5-14(11)15)18-10-12(17)9-16-6-2-3-7-16/h4-5,8,12,17H,2-3,6-7,9-10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,15,16,5,6,14,17,3,12,10,2,11,4,7,8,13,18,9/E:(2,3)(6,7)/rA:18cCCCCCCCClOCCCN+CCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;s13;s14;s15;s13s16;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClNO2+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-22.0613
Area:474.301
Solvation:-33.9188
Coulombic:6.09347
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.775
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.47
LogP (Chemaxon):2.71

Name Annotations

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Descriptor Annotations

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