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Chemical ID: 4238753
Chemical ID:
4238753
Name [?]:
4,7,7-trimethyl-N-(3-nitrophenyl)-3-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(CC2=O)C(=O)Nc3cccc(c3)[N+](=O)[O-])C)C
InChi [?]:
InChI=1/C17H20N2O4/c1-15(2)16(3)7-8-17(15,10-13(16)20)14(21)18-11-5-4-6-12(9-11)19(22)23/h4-6,9H,7-8,10H2,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,15,14,16,4,5,18,7,13,17,8,10,2,3,6,12,19,9,11,20,21/E:(1,2)(22,23)/CRV:19.5/rA:23cCCCCCCCCOCONCCCCCCN+OO-CC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.79771 |
Area: | 494.818 |
Solvation: | -8.57274 |
Coulombic: | -38.8 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.0 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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