Chemical ID: 4514809

c1ccc2c(c1)CCc3ccccc3N2
Chemical ID:
4514809
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3N2
InChi [?]:
InChI=1/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,5,9,4,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:15nCCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.82793
Area:355.711
Solvation:-1.06485
Coulombic:-13.3586
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:195.26
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.51
LogP (Chemaxon):3.73

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Descriptor Annotations

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