Chemical ID: 4443524

c1cc(cc(c1)Cl)NC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O
Chemical ID:
4443524
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O
InChi [?]:
InChI=1/C17H17ClN2O3/c18-11-2-1-3-12(7-11)19-13(21)8-20-16(22)14-9-4-5-10(6-9)15(14)17(20)23/h1-3,7,9-10,14-15H,4-6,8H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,20,4,11,16,19,5,3,9,15,21,13,22,7,8,12,10,14,23/E:(4,5)(9,10)(14,15)(16,17)(22,23)/rA:23cCCCCCCClNCOCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s16s19;s15s19;s12s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:8.79543
Area:502.408
Solvation:-3.76476
Coulombic:-44.5893
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):1.95

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