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Chemical ID: 7380449
Chemical ID:
7380449
Name [?]:
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCCc2c[nH]c3c2cc(cc3)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)17(22)20-8-7-12-10-21-16-6-5-14(19)9-15(12)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,20,11,10,17,13,6,12,3,18,16,15,7,22,21,9,14,8/E:(1,2)(3,4)/rA:22nCCCCCCCONCCCCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4446 |
Area: | 550.24 |
Solvation: | -2.31135 |
Coulombic: | -34.9558 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 333.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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