ChemDB: Chemical Search
Download
Chemical ID: 7653887
Chemical ID:
7653887
Name [?]:
None
SMILES [?]:
C=Cc1cncc2c1CC3c4c(c5ccccc5[nH]4)CCN3C2=O
InChi [?]:
InChI=1/C20H17N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,10-11,18,22H,1,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,20,21,9,4,6,3,13,12,8,7,18,10,11,23,5,19,22,24/rA:24cCCCCNCCCCCCCCCCCCCNCCNCO/rB:d1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s12;s20;s10s21;s7s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.77696 |
Area: | 491.345 |
Solvation: | -2.50667 |
Coulombic: | -34.7067 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.63 |
LogP (Chemaxon): | None |
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 |
---|