Chemical ID: 4203623

c1ccc(cc1)CCCNC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
4203623
Name [?]:
3-nitro-N-(3-phenylpropyl)benzamide
SMILES [?]:
c1ccc(cc1)CCCNC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O3/c19-16(14-9-4-10-15(12-14)18(20)21)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,8,3,5,7,14,16,9,18,4,13,17,11,10,19,12,20,21/E:(2,3)(6,7)(20,21)/CRV:18.5/rA:21nCCCCCCCCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.05739
Area:513.653
Solvation:-7.78394
Coulombic:-34.8401
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.42
LogP (Chemaxon):3.32

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Descriptor Annotations

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