Chemical ID: 6335107

Cc1cccc(c1)C(=O)Nc2ccccc2[N+](=O)[O-]
Chemical ID:
6335107
Name [?]:
3-methyl-N-(2-nitrophenyl)-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C14H12N2O3/c1-10-5-4-6-11(9-10)14(17)15-12-7-2-3-8-13(12)16(18)19/h2-9H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,3,5,12,15,7,2,6,11,16,8,10,17,9,18,19/E:(18,19)/CRV:16.5/rA:19nCCCCCCCCONCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.08645
Area:434.018
Solvation:-5.76401
Coulombic:-36.9736
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.257
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.84
LogP (Chemaxon):3.52

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Descriptor Annotations

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