Chemical ID: 5215044

CCCCCCC1C(N1)Cc2ccccc2Cl
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

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Descriptor Annotations

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