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Chemical ID: 4289821
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
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Experimental Annotations
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Descriptor Annotations
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