Chemical ID: 6046622

Cn1c2ccc3c(c2nc1NO)cccn3
Chemical ID:
6046622
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1NO)cccn3
InChi [?]:
InChI=1/C11H10N4O/c1-15-9-5-4-8-7(3-2-6-12-8)10(9)13-11(15)14-16/h2-6,16H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,5,4,15,7,6,3,8,10,16,9,11,2,12/rA:16nCNCCCCCCNCNOCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;s11;d7;s13;d14;d6s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.82453
Area:374.892
Solvation:-3.54777
Coulombic:-36.7092
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:214.223
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.53
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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