Chemical ID: 7148882

Cc1c(c(n(n1)Cc2ccc(c(c2)OC)OC)C)[N+](=O)[O-]
Chemical ID:
7148882
Name [?]:
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-4-nitro-pyrazole
SMILES [?]:
Cc1c(c(n(n1)Cc2ccc(c(c2)OC)OC)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H17N3O4/c1-9-14(17(18)19)10(2)16(15-9)8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,17,15,9,10,13,7,2,4,8,11,12,3,6,5,19,20,21,16,14/E:(18,19)/CRV:17.5/rA:21nCCCCNNCCCCCCCOCOCCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s4;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3O4
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:2.36567
Area:486.716
Solvation:-9.80222
Coulombic:-31.8942
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.303
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.34
LogP (Chemaxon):1.73

Name Annotations

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Descriptor Annotations

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