Chemical ID: 7165152

Cc1cc(nn1Cc2cccc3c2cccc3)[N+](=O)[O-]
Chemical ID:
7165152
Name [?]:
5-methyl-1-(1-naphthylmethyl)-3-nitro-pyrazole
SMILES [?]:
Cc1cc(nn1Cc2cccc3c2cccc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N3O2/c1-11-9-15(18(19)20)16-17(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,10,17,11,9,14,3,7,2,12,8,13,4,5,6,18,19,20/E:(19,20)/CRV:18.5/rA:20nCCCCNNCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O2
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.47956
Area:441.65
Solvation:-7.5617
Coulombic:-21.6302
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):3.77

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Descriptor Annotations

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