Chemical ID: 4259847

Cc1cc2cc(ccc2[nH]1)N(=O)=O
Chemical ID:
4259847
Name [?]:
2-methyl-5-nitro-1H-indole
SMILES [?]:
Cc1cc2cc(ccc2[nH]1)N(=O)=O
InChi [?]:
InChI=1/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,3,5,2,4,6,9,10,11,12,13/E:(12,13)/CRV:11.5/rA:13nCCCCCCCCCNNOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;d11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:2.11503
Area:335.065
Solvation:-6.26159
Coulombic:-22.1449
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.3
LogP (Chemaxon):2.42

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