Chemical ID: 4388770

COc1ccc(cc1)NC(=NN)c2ccccc2
Chemical ID:
4388770
Name [?]:
N-(hydrazono-phenyl-methyl)-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NC(=NN)c2ccccc2
InChi [?]:
InChI=1/C14H15N3O/c1-18-13-9-7-12(8-10-13)16-14(17-15)11-5-3-2-4-6-11/h2-10H,15H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,5,7,4,8,13,6,3,10,12,9,11,2/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCOCCCCCCNCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;w10;s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.63565
Area:426.473
Solvation:-3.02617
Coulombic:-35.9058
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:241.289
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.85
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