ChemDB: Chemical Search
Download
Chemical ID: 6687084
Chemical ID:
6687084
Name [?]:
2,3-diphenyl-1-propyl-aziridine
SMILES [?]:
CCCN1C(C1c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C17H19N/c1-2-13-18-16(14-9-5-3-6-10-14)17(18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,16,9,11,15,17,8,12,14,18,3,7,13,6,5,4/E:(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)/rA:18cCCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s4s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.88147 |
Area: | 448.833 |
Solvation: | -1.33934 |
Coulombic: | -9.75413 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.48 |
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 |
---|