Chemical ID: 4665414

c1ccc2c(c1)CC(=Cc3ccncc3)C2=O
Chemical ID:
4665414
Name [?]:
2-(4-pyridylmethylene)indan-1-one
SMILES [?]:
c1ccc2c(c1)CC(=Cc3ccncc3)C2=O
InChi [?]:
InChI=1/C15H11NO/c17-15-13(9-11-5-7-16-8-6-11)10-12-3-1-2-4-14(12)15/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,12,14,9,7,10,5,8,4,16,13,17/E:(5,6)(7,8)/rA:17nCCCCCCCCCCCCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s4s8;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.57798
Area:401.882
Solvation:-2.46906
Coulombic:-14.4415
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:221.254
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.25
LogP (Chemaxon):2.55

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