Chemical ID: 4583847

Cn1c2ccnc(c2nn1)NCc3ccco3
Chemical ID:
4583847
Name [?]:
N-(2-furylmethyl)-9-methyl-4,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine
SMILES [?]:
Cn1c2ccnc(c2nn1)NCc3ccco3
InChi [?]:
InChI=1/C11H11N5O/c1-16-9-4-5-12-11(10(9)14-15-16)13-7-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,14,4,5,16,12,13,3,8,7,6,11,9,10,2,17/rA:17nCNCCCNCCNNNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s7;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N5O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.94186
Area:412.544
Solvation:-3.37173
Coulombic:-27.482
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.238
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.47
LogP (Chemaxon):1.17

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