Chemical ID: 6962013

Cc1ccc(cc1)NC(=S)NN=Cc2c[nH]c3c2cccc3
Chemical ID:
6962013
Name [?]:
3-(1H-indol-3-ylmethyleneamino)-1-(p-tolyl)thiourea
SMILES [?]:
Cc1ccc(cc1)NC(=S)NN=Cc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C17H16N4S/c1-12-6-8-14(9-7-12)20-17(22)21-19-11-13-10-18-16-5-3-2-4-15(13)16/h2-11,18H,1H3,(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,15,13,2,14,5,18,17,9,16,12,8,11,10/E:(6,7)(8,9)/rA:22nCCCCCCCNCSNNCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;w12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4S
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5809
Area:515.382
Solvation:-2.3036
Coulombic:-34.7031
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:308.402
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.87
LogP (Chemaxon):5.25

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