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Chemical ID: 6387214
Chemical ID:
6387214
Name [?]:
5-chloro-2-methoxy-N-(1-methylhexyl)benzamide
SMILES [?]:
CCCCCC(C)NC(=O)c1cc(ccc1OC)Cl
InChi [?]:
InChI=1/C15H22ClNO2/c1-4-5-6-7-11(2)17-15(18)13-10-12(16)8-9-14(13)19-3/h8-11H,4-7H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,18,2,3,4,5,14,15,12,6,13,11,16,9,19,8,10,17/rA:19cCCCCCCCNCOCCCCCCOCCl/rB:s1;s2;s3;s4;s5;s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.31558 |
Area: | 512.733 |
Solvation: | -3.50274 |
Coulombic: | -29.714 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.91 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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