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Chemical ID: 7310212
Chemical ID:
7310212
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C16H20ClNO/c1-10-14(17)3-2-4-15(10)18-16(19)9-13-8-11-5-6-12(13)7-11/h2-4,11-13H,5-9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,17,19,14,12,2,15,18,13,7,3,10,8,9,11/rA:19cCCCCCCCClNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20ClNO |
All Atoms: | 39 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.89236 |
Area: | 458.027 |
Solvation: | -1.55832 |
Coulombic: | -21.941 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 277.789 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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