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Chemical ID: 7163685
Chemical ID:
7163685
Name [?]:
N-cycloheptyl-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)NC2CCCCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H24N4O3/c1-11(10-18-12(2)9-14(17-18)19(21)22)15(20)16-13-7-5-3-4-6-8-13/h9,11,13H,3-8,10H2,1-2H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:9,1,16,17,15,18,14,19,3,7,8,2,13,4,10,12,5,6,20,11,21,22/E:(3,4)(5,6)(7,8)(21,22)/CRV:19.5/rA:22cCCCCNNCCCCONCCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;s4;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N4O3 |
All Atoms: | 46 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.01572 |
Area: | 523.301 |
Solvation: | -8.06679 |
Coulombic: | -40.5927 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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