Chemical ID: 5237346

c1ccc(cc1)CCCNc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5237346
Name [?]:
4-nitro-N-(3-phenylpropyl)aniline
SMILES [?]:
c1ccc(cc1)CCCNc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H16N2O2/c18-17(19)15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,8,3,5,7,12,16,13,15,9,4,11,14,10,17,18,19/E:(2,3)(5,6)(8,9)(10,11)(18,19)/CRV:17.5/rA:19nCCCCCCCCCNCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.25964
Area:477.755
Solvation:-6.68422
Coulombic:-25.7276
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.3
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.66
LogP (Chemaxon):4.0

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