Chemical ID: 7599330

c1cc2c(cc1F)c3c([nH]2)CCN(C3)CCc4ccncc4
Chemical ID:
7599330
Name [?]:
None
SMILES [?]:
c1cc2c(cc1F)c3c([nH]2)CCN(C3)CCc4ccncc4
InChi [?]:
InChI=1/C18H18FN3/c19-14-1-2-17-15(11-14)16-12-22(10-6-18(16)21-17)9-5-13-3-7-20-8-4-13/h1-4,7-8,11,21H,5-6,9-10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,18,22,16,11,19,21,15,12,5,14,17,6,4,8,3,9,7,20,10,13/E:(3,4)(7,8)/rA:22cCCCCCCFCCNCCNCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s9;s11;s12;s8s13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18FN3
All Atoms:40
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.00507
Area:490.092
Solvation:-3.24723
Coulombic:-23.801
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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