Chemical ID: 7295030

CCOc1ccc(cc1)NC(=O)c2ccc(cc2)C#N
Chemical ID:
7295030
Name [?]:
4-cyano-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H14N2O2/c1-2-20-15-9-7-14(8-10-15)18-16(19)13-5-3-12(11-17)4-6-13/h3-10H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,15,17,14,18,6,8,5,9,19,16,13,7,4,11,20,10,12,3/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCOCCCCCCNCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O2
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.57861
Area:485.294
Solvation:-3.55374
Coulombic:-32.703
Bond Count [?]
All:21
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):3.01

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