Chemical ID: 4561951

Cc1cccc2c1NC3(CCCCCC3)CC2C
Chemical ID:
4561951
Name [?]:
None
SMILES [?]:
Cc1cccc2c1NC3(CCCCCC3)CC2C
InChi [?]:
InChI=1/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,12,13,11,14,4,3,5,10,15,16,2,17,6,7,9,8/E:(3,4)(5,6)(10,11)/rA:18cCCCCCCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s9s14;s9;s6s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.16452
Area:402.997
Solvation:-0.910401
Coulombic:-13.7956
Bond Count [?]
All:20
Single:17
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:243.387
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.99
LogP (Chemaxon):4.51

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Descriptor Annotations

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