Chemical ID: 7163685

Cc1cc(nn1CC(C)C(=O)NC2CCCCCC2)[N+](=O)[O-]
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

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Descriptor Annotations

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