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Chemical ID: 6461079
Chemical ID:
6461079
Name [?]:
3,4-dichloro-N-(2-morpholinophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(c(c2)Cl)Cl)N3CCOCC3
InChi [?]:
InChI=1/C17H16Cl2N2O2/c18-13-6-5-12(11-14(13)19)17(22)20-15-3-1-2-4-16(15)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,19,23,20,22,15,10,13,14,5,4,8,17,16,7,18,9,21/E:(7,8)(9,10)/rA:23nCCCCCCNCOCCCCCCClClNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;s4;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0528 |
Area: | 538.964 |
Solvation: | -3.4213 |
Coulombic: | -38.0028 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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