Chemical ID: 5012090

c1ccc(cc1)C2CCCCCN2
Chemical ID:
5012090
Name [?]:
2-phenylazepane
SMILES [?]:
c1ccc(cc1)C2CCCCCN2
InChi [?]:
InChI=1/C12H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,3,5,8,12,4,7,13/E:(3,4)(7,8)/rA:13cCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.86501
Area:346.081
Solvation:-0.787024
Coulombic:-11.4166
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:175.27
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.86
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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