Chemical ID: 6737457

c1cc(c(cc1Cl)N2C(=O)C3C4CC(C3C2=O)C=C4)O
Chemical ID:
6737457
Name [?]:
None
SMILES [?]:
c1cc(c(cc1Cl)N2C(=O)C3C4CC(C3C2=O)C=C4)O
InChi [?]:
InChI=1/C15H12ClNO3/c16-9-3-4-11(18)10(6-9)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13,18H,5H2
InChi Info:
AuxInfo=1/0/N:18,19,1,2,13,5,14,12,6,4,3,15,11,16,9,7,8,20,17,10/E:(1,2)(7,8)(12,13)(14,15)(19,20)/rA:20cCCCCCCClNCOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:7.63173
Area:436.598
Solvation:-3.28321
Coulombic:-40.763
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:289.713
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):2.0

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue