ChemDB: Chemical Search
Download
Chemical ID: 3873718
Chemical ID:
3873718
Name [?]:
3-chloro-N-cyclohexyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
c1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NC4CCCCC4
InChi [?]:
InChI=1/C19H20ClN3/c20-15-11-12-17-22-18(14-7-3-1-4-8-14)19(23(17)13-15)21-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16,21H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,12,13,10,4,11,18,14,7,8,16,17,15,9/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCCCCCNClNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s11;s8;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3921 |
Area: | 513.985 |
Solvation: | -1.4575 |
Coulombic: | -27.0075 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 325.835 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.04 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|