Chemical ID: 4346247

CC1(CC(=C2C(Nc3ccccc3N=C2C1)c4ccc(cc4)F)O)C
Chemical ID:
4346247
Name [?]:
None
SMILES [?]:
CC1(CC(=C2C(Nc3ccccc3N=C2C1)c4ccc(cc4)F)O)C
InChi [?]:
InChI=1/C21H21FN2O/c1-21(2)11-17-19(18(25)12-21)20(13-7-9-14(22)10-8-13)24-16-6-4-3-5-15(16)23-17/h3-10,20,24-25H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,11,10,12,9,18,22,19,21,16,3,17,20,13,8,15,4,5,6,2,23,14,7,24/E:(1,2)(7,8)(9,10)/rA:25cCCCCCCNCCCCCCNCCCCCCCCFOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5d14;s2s15;s6;s17;d18;s19;d20;d17s21;s20;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21FN2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.38719
Area:491.1
Solvation:-2.8903
Coulombic:-38.8191
Bond Count [?]
All:28
Single:20
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:336.403
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):4.48

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Descriptor Annotations

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