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Chemical ID: 5351012
Chemical ID:
5351012
Name [?]:
N-(5-chloro-2-morpholino-phenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2cc(ccc2N3CCOCC3)Cl
InChi [?]:
InChI=1/C17H17ClN2O2/c18-14-6-7-16(20-8-10-22-11-9-20)15(12-14)19-17(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,17,21,18,20,11,4,12,10,15,7,22,9,16,8,19/E:(2,3)(4,5)(8,9)(10,11)/rA:22nCCCCCCCONCCCCCCNCCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53569 |
Area: | 510.788 |
Solvation: | -3.234 |
Coulombic: | -38.2974 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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