Chemical ID: 7194837

COc1ccccc1C[NH2+]CCc2cccc(c2)Cl
Chemical ID:
7194837
Name [?]:
2-(3-chlorophenyl)ethyl-[(2-methoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccccc1C[NH2+]CCc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-19-16-8-3-2-6-14(16)12-18-10-9-13-5-4-7-15(17)11-13/h2-8,11,18H,9-10,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,6,5,15,14,7,16,4,12,11,18,9,13,8,17,3,19,10,2/rA:19nCOCCCCCCCN+CCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19ClNO+
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-20.6233
Area:498.346
Solvation:-33.0819
Coulombic:22.7098
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.781
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.87

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