Chemical ID: 4144613

c1ccc(cc1)CCNC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4144613
Name [?]:
4-nitro-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O3/c18-15(13-6-8-14(9-7-13)17(19)20)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,7,8,4,12,15,10,9,18,11,19,20/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:17.5/rA:20nCCCCCCCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.4818
Area:486.879
Solvation:-7.69018
Coulombic:-34.9181
Bond Count [?]
All:21
Single:13
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.283
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):2.93

Name Annotations

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Descriptor Annotations

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