Chemical ID: 6401571

c1cc(cc(c1)[N+](=O)[O-])C(=O)NC2CCCCCCC2
Chemical ID:
6401571
Name [?]:
N-cyclooctyl-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)NC2CCCCCCC2
InChi [?]:
InChI=1/C15H20N2O3/c18-15(12-7-6-10-14(11-12)17(19)20)16-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,2,14,20,6,4,3,13,5,10,12,7,11,8,9/E:(2,3)(4,5)(8,9)(19,20)/CRV:17.5/rA:20nCCCCCCN+OO-CONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;s14;s15;s16;s17;s18;s13s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.79625
Area:471.137
Solvation:-6.98218
Coulombic:-34.6356
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.16
LogP (Chemaxon):3.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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