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Chemical ID: 5237435
Chemical ID:
5237435
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
InChi [?]:
InChI=1/C17H16N2O2/c18-16(20)14-10-6-2-1-5-9(10)13-11-7-3-4-8-12(11)17(21)19-15(13)14/h3-4,7-8,13H,1-2,5-6H2,(H2,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:12,11,1,2,13,10,6,3,8,9,5,4,7,14,15,19,17,21,16,20,18/rA:21cCCCCCCCCCCCCCCCNCOCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s11;s8s12;s9;s7d14;s15;s4s16;d17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30209 |
Area: | 433.544 |
Solvation: | -2.53651 |
Coulombic: | -48.0803 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.44 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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