Chemical ID: 5674982

CCn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccco3
Chemical ID:
5674982
Name [?]:
[1-ethyl-3-[2-(2-furyl)-2-oxo-ethyl]-benzoimidazol-2-ylidene]ammonium
SMILES [?]:
CCn1c2ccccc2n(c1=[NH2+])CC(=O)c3ccco3
InChi [?]:
InChI=1/C15H15N3O2/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,16H,2,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,7,18,5,8,17,19,13,4,9,14,16,11,12,3,10,15,20/rA:20nCCNCCCCCCNCN+CCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N3O2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-26.7413
Area:457.989
Solvation:-38.191
Coulombic:-32.6342
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.307
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):3.07

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Experimental Annotations

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Descriptor Annotations

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