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Chemical ID: 4422292
Chemical ID:
4422292
Name [?]:
N-(3-chlorophenyl)-3,3-dimethyl-2-methylene-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC(C2)(C1=C)C(=O)Nc3cccc(c3)Cl)C
InChi [?]:
InChI=1/C17H20ClNO/c1-11-16(2,3)12-7-8-17(11,10-12)15(20)19-14-6-4-5-13(18)9-14/h4-6,9,12H,1,7-8,10H2,2-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:9,1,20,15,16,14,4,5,18,7,8,3,17,13,10,2,6,19,12,11/E:(2,3)/rA:20cCCCCCCCCCCONCCCCCCClC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2489 |
Area: | 471.632 |
Solvation: | -1.54189 |
Coulombic: | -24.2544 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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