Chemical ID: 4732315

c1cc2cccc3c2c(c1)C(=O)N3
Chemical ID:
4732315
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N3
InChi [?]:
InChI=1/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,6,3,9,7,8,11,13,12/rA:13nCCCCCCCCCCCON/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s7s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.362
Area:312.807
Solvation:-1.45818
Coulombic:-22.6905
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:169.179
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.24
LogP (Chemaxon):2.06

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