Chemical ID: 4923075

CCOC(=O)C=C1c2nnnn2-c3ccccc3N1
Chemical ID:
4923075
Name [?]:
None
SMILES [?]:
CCOC(=O)C=C1c2nnnn2-c3ccccc3N1
InChi [?]:
InChI=1/C12H11N5O2/c1-2-19-11(18)7-9-12-14-15-16-17(12)10-6-4-3-5-8(10)13-9/h3-7,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,14,6,18,7,13,4,8,19,9,10,11,12,5,3/rA:19nCCOCOCCCNNNNCCCCCCN/rB:s1;s2;s3;d4;s4;w6;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s7s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.20831
Area:421.663
Solvation:-2.33326
Coulombic:-36.0733
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:257.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.12
LogP (Chemaxon):0.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue