Chemical ID: 5015917

c1ccc2c(c1)c3c([nH]2)C(NCC3)c4cc(ccc4F)F
Chemical ID:
5015917
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(NCC3)c4cc(ccc4F)F
InChi [?]:
InChI=1/C17H14F2N2/c18-10-5-6-14(19)13(9-10)16-17-12(7-8-20-16)11-3-1-2-4-15(11)21-17/h1-6,9,16,20-21H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,18,13,12,15,16,5,7,14,19,4,10,8,21,20,11,9/rA:21cCCCCCCCCNCNCCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s10;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F2N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.85124
Area:435.101
Solvation:-3.02628
Coulombic:-28.4367
Bond Count [?]
All:24
Single:17
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.303
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.36
LogP (Chemaxon):3.85

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Descriptor Annotations

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