Chemical ID: 6465831

CCC1=CC2Cc3c(c(c4cc(ccc4n3)Cl)N)C(C2)C1
Chemical ID:
6465831
Name [?]:
None
SMILES [?]:
CCC1=CC2Cc3c(c(c4cc(ccc4n3)Cl)N)C(C2)C1
InChi [?]:
InChI=1/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-4-3-13(19)9-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,4,21,20,6,11,3,5,19,12,10,15,7,8,9,17,18,16/rA:21cCCCCCCCCCCCCCCCNClNCCC/rB:s1;s2;d3;s4;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;s9;s8;s5s19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.1943
Area:460.284
Solvation:-1.31277
Coulombic:-23.6924
Bond Count [?]
All:24
Single:18
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.81
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.09
LogP (Chemaxon):3.87

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