Chemical ID: 7194547

c1cc(cc(c1)Cl)CC[NH2+]Cc2cccnc2
Chemical ID:
7194547
Name [?]:
2-(3-chlorophenyl)ethyl-(3-pyridylmethyl)ammonium
SMILES [?]:
c1cc(cc(c1)Cl)CC[NH2+]Cc2cccnc2
InChi [?]:
InChI=1/C14H15ClN2/c15-14-5-1-3-12(9-14)6-8-17-11-13-4-2-7-16-10-13/h1-5,7,9-10,17H,6,8,11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,14,2,13,6,8,15,9,4,17,11,3,12,5,7,16,10/rA:17nCCCCCCClCCN+CCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16ClN2+
All Atoms:33
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-25.1769
Area:464.307
Solvation:-36.7845
Coulombic:31.2867
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.743
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.77
LogP (Chemaxon):2.81

Name Annotations

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Descriptor Annotations

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