Chemical ID: 4940931

c1ccc2cc3c(cc2c1)C(=O)N4C3(NCC4)c5ccc(cc5)Cl
Chemical ID:
4940931
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)C(=O)N4C3(NCC4)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C20H15ClN2O/c21-16-7-5-15(6-8-16)20-18-12-14-4-2-1-3-13(14)11-17(18)19(24)23(20)10-9-22-20/h1-8,11-12,22H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,19,23,20,22,16,17,8,5,9,4,18,21,7,6,11,14,24,15,13,12/E:(5,6)(7,8)/rA:24cCCCCCCCCCCCONCNCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s6s13;s14;s15;s13s16;s14;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClN2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.4114
Area:508.244
Solvation:-2.29472
Coulombic:-29.6918
Bond Count [?]
All:28
Single:19
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.799
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):4.57

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