Chemical ID: 4702098

c1ccc-2c(c1)CCc3c2n[nH]c(=O)c3
Chemical ID:
4702098
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2n[nH]c(=O)c3
InChi [?]:
InChI=1/C12H10N2O/c15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-13-11/h1-4,7H,5-6H2,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,15,5,9,4,13,10,12,11,14/rA:15nCCCCCCCCCCNNCOC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;s12;d13;d9s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.92955
Area:350.926
Solvation:-1.8436
Coulombic:-20.8006
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.221
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.19
LogP (Chemaxon):2.38

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