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Chemical ID: 6536438
Chemical ID:
6536438
Name [?]:
N-(3-nitrophenyl)norbornane-1-carboxamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])NC(=O)C23CCC(C2)CC3
InChi [?]:
InChI=1/C14H16N2O3/c17-13(14-6-4-10(9-14)5-7-14)15-11-2-1-3-12(8-11)16(18)19/h1-3,8,10H,4-7,9H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,18,14,19,4,17,16,3,5,11,13,10,7,12,8,9/E:(4,5)(6,7)(18,19)/CRV:16.5/rA:19nCCCCCCN+OO-NCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;s13s16;s16;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.12229 |
Area: | 439.883 |
Solvation: | -6.87478 |
Coulombic: | -32.8524 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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