Chemical ID: 6717172

Cc1ccccc1Nc2c([nH]c3[n+]2cc(cc3)Cl)c4ccc(o4)C
Chemical ID:
6717172
Name [?]:
4-chloro-8-(5-methyl-2-furyl)-N-(o-tolyl)-9-aza-6-azoniabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-amine
SMILES [?]:
Cc1ccccc1Nc2c([nH]c3[n+]2cc(cc3)Cl)c4ccc(o4)C
InChi [?]:
InChI=1/C19H16ClN3O/c1-12-5-3-4-6-15(12)21-19-18(16-9-7-13(2)24-16)22-17-10-8-14(20)11-23(17)19/h3-11,21H,1-2H3/p+1
InChi Info:
AuxInfo=1/5/N:1,24,4,5,3,6,21,16,20,17,14,2,22,15,7,19,12,10,9,18,8,11,13,23/rA:24nCCCCCCCNCCNCN+CCCCClCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s15;s10;d19;s20;d21;s19s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN3O+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-12.4775
Area:536.814
Solvation:-25.8978
Coulombic:-15.0934
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.811
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.68
LogP (Chemaxon):1.37

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