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Chemical ID: 5215044
Chemical ID:
5215044
Name [?]:
2-[(2-chlorophenyl)methyl]-3-hexyl-aziridine
SMILES [?]:
CCCCCCC1C(N1)Cc2ccccc2Cl
InChi [?]:
InChI=1/C15H22ClN/c1-2-3-4-5-10-14-15(17-14)11-12-8-6-7-9-13(12)16/h6-9,14-15,17H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,13,14,12,15,6,10,11,16,7,8,17,9/rA:17cCCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s7s8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1115 |
Area: | 487.999 |
Solvation: | -1.08843 |
Coulombic: | -12.5896 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 251.795 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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