Chemical ID: 7197998

c1ccc(cc1)CC[NH2+]Cc2ccccn2
Chemical ID:
7197998
Name [?]:
phenethyl-(2-pyridylmethyl)ammonium
SMILES [?]:
c1ccc(cc1)CC[NH2+]Cc2ccccn2
InChi [?]:
InChI=1/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,7,15,8,10,4,11,9,16/E:(2,3)(6,7)/rA:16nCCCCCCCCN+CCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N2+
All Atoms:33
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-23.5306
Area:427.818
Solvation:-34.226
Coulombic:28.4449
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.298
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.24
LogP (Chemaxon):2.44

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Descriptor Annotations

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