Chemical ID: 5237435

c1ccc2c(c1)C3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
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

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Descriptor Annotations

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