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Chemical ID: 6364732
Chemical ID:
6364732
Name [?]:
N-(2,4,5-trichlorophenyl)norbornane-2-carboxamide
SMILES [?]:
c1c(c(cc(c1Cl)Cl)Cl)NC(=O)C2CC3CCC2C3
InChi [?]:
InChI=1/C14H14Cl3NO/c15-10-5-12(17)13(6-11(10)16)18-14(19)9-4-7-1-2-8(9)3-7/h5-9H,1-4H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:16,17,19,14,4,1,15,18,13,5,6,3,2,11,8,7,9,10,12/rA:19cCCCCCCClClClNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;s10;d11;s11;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14Cl3NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.489 |
Area: | 476.006 |
Solvation: | -1.41112 |
Coulombic: | -22.315 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.625 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.16 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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