Chemical ID: 5115138

CCCOc1ccc(cc1N)[N+](=O)[O-]
Chemical ID:
5115138
Name [?]:
5-nitro-2-propoxy-aniline
SMILES [?]:
CCCOc1ccc(cc1N)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,9,8,10,5,11,12,13,14,4/E:(12,13)/CRV:11.5/rA:14nCCCOCCCCCCNN+OO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.95596
Area:379.546
Solvation:-7.5327
Coulombic:-35.0586
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.203
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):1.78

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Descriptor Annotations

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