Chemical ID: 4806784

c1cc2cccnc2c(c1)C=NNc3ccc(cc3)C(=O)O
Chemical ID:
4806784
Name [?]:
4-(8-quinolylmethyleneaminoamino)benzoic acid
SMILES [?]:
c1cc2cccnc2c(c1)C=NNc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C17H13N3O2/c21-17(22)13-6-8-15(9-7-13)20-19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-11,20H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,10,4,16,18,15,19,6,11,3,17,9,14,8,20,7,12,13,21,22/E:(6,7)(8,9)(21,22)/rA:22nCCCCCCNCCCCNNCCCCCCCOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;w11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.31012
Area:491.484
Solvation:-2.97699
Coulombic:-43.6766
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:291.304
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):2.56

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