Chemical ID: 7091825

CC(C)(C)OC(=O)c1cc2c3ccccc3[nH]c2cn1
Chemical ID:
7091825
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)c1cc2c3ccccc3[nH]c2cn1
InChi [?]:
InChI=1/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,14,12,15,9,19,11,10,16,8,18,6,2,20,17,7,5/E:(1,2,3)/rA:20nCCCCOCOCCCCCCCCCNCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;d8s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O2
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.37324
Area:456.363
Solvation:-2.03584
Coulombic:-38.2048
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.311
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):3.31

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Descriptor Annotations

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