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Chemical ID: 7310454
Chemical ID:
7310454
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C16H20ClNO2/c1-20-15-5-4-13(9-14(15)17)18-16(19)8-12-7-10-2-3-11(12)6-10/h4-5,9-12H,2-3,6-8H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,18,5,4,20,15,13,7,16,19,14,6,8,3,11,9,10,12,2/rA:20cCOCCCCCCClNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20ClNO2 |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.72603 |
Area: | 478.232 |
Solvation: | -3.22977 |
Coulombic: | -28.007 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.788 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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