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Chemical ID: 5012188
Chemical ID:
5012188
Name [?]:
2-(4-chlorophenyl)azepane
SMILES [?]:
c1cc(ccc1C2CCCCCN2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,1,5,2,4,12,6,3,7,14,13/E:(5,6)(7,8)/rA:14cCCCCCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s7s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.81733 |
Area: | 382.232 |
Solvation: | -0.73847 |
Coulombic: | -11.5968 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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