Chemical ID: 4513648

CCC(C)(C)c1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4513648
Name [?]:
1-(1,1-dimethylpropyl)-4-(4-nitrophenoxy)-benzene
SMILES [?]:
CCC(C)(C)c1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H19NO3/c1-4-17(2,3)13-5-9-15(10-6-13)21-16-11-7-14(8-12-16)18(19)20/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,7,11,15,17,8,10,14,18,6,16,9,13,3,19,20,21,12/E:(2,3)(5,6)(7,8)(9,10)(11,12)(19,20)/CRV:18.5/rA:21nCCCCCCCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.1329
Area:488.439
Solvation:-7.07808
Coulombic:-21.373
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.66
LogP (Chemaxon):5.45

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Descriptor Annotations

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