Chemical ID: 5733157

CC1(C2(CCC1(CC2=O)C(=O)Nc3cccc(c3)N(=O)=O)C)C
Chemical ID:
5733157
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:23cCCCCCCCCOCONCCCCCCNOOCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;d19;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:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.352
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.12
LogP (Chemaxon):4.11

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