Chemical ID: 4289821

c1ccc(cc1)c2cc3cccc(c3[nH]2)C(=O)NN=Cc4ccc(c(c4)Cl)Cl
Chemical ID:
4289821
Name [?]:
N-[(3,4-dichlorophenyl)methyleneamino]-2-phenyl-1H-indole-7-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc3cccc(c3[nH]2)C(=O)NN=Cc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C22H15Cl2N3O/c23-18-10-9-14(11-19(18)24)13-25-27-22(28)17-8-4-7-16-12-20(26-21(16)17)15-5-2-1-3-6-15/h1-13,26H,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,10,12,22,23,26,8,20,21,4,9,13,24,25,7,14,16,28,27,19,15,18,17/E:(2,3)(5,6)/rA:28nCCCCCCCCCCCCCCNCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s13;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl2N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7062
Area:617.149
Solvation:-3.72253
Coulombic:-33.4544
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:408.28
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.34
LogP (Chemaxon):6.13

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