Chemical ID: 7325638

CN(Cc1ccco1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
7325638
Name [?]:
4-chloro-N-(2-furylmethyl)-N-methyl-3-nitro-benzamide
SMILES [?]:
CN(Cc1ccco1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C13H11ClN2O4/c1-15(8-10-3-2-6-20-10)13(17)9-4-5-11(14)12(7-9)16(18)19/h2-7H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,12,13,7,16,3,11,4,14,15,9,20,2,17,10,18,19,8/E:(18,19)/CRV:16.5/rA:20nCNCCCCCOCOCCCCCCN+OO-Cl/rB:s1;s2;s3;d4;s5;d6;s4s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClN2O4
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.94979
Area:466.245
Solvation:-8.70633
Coulombic:-34.0805
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.69
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.37
LogP (Chemaxon):2.39

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Descriptor Annotations

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