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Chemical ID: 4184625
Chemical ID:
4184625
Name [?]:
None
SMILES [?]:
Cc1cccc(n1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChi [?]:
InChI=1/C15H14N2O2/c1-8-3-2-4-11(16-8)17-14(18)12-9-5-6-10(7-9)13(12)15(17)19/h2-6,9-10,12-13H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,18,19,13,2,14,12,6,15,11,16,9,7,8,17,10/E:(5,6)(9,10)(12,13)(14,15)(18,19)/rA:19cCCCCCCNNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.23626 |
Area: | 407.375 |
Solvation: | -2.94811 |
Coulombic: | -28.7984 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 254.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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