Chemical ID: 6697397

CC(C#Cc1ccc(o1)Oc2ccc(cc2)F)N(C(=O)N)[O-]
Chemical ID:
6697397
Name [?]:
1-[3-[5-(4-fluorophenoxy)-2-furyl]-1-methyl-prop-2-ynyl]-1-oxido-urea
SMILES [?]:
CC(C#Cc1ccc(o1)Oc2ccc(cc2)F)N(C(=O)N)[O-]
InChi [?]:
InChI=1/C15H12FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h3-4,6-10H,1H3,(H2,17,19)/q-1
InChi Info:
AuxInfo=1/1/N:1,3,13,15,4,12,16,6,7,2,14,5,11,8,19,17,21,18,20,22,9,10/E:(3,4)(6,7)/CRV:20-1/rA:22cCCCCCCCCOOCCCCCCFNCONO-/rB:s1;s2;t3;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s2;s18;d19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12FN2O4-
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-31.7054
Area:508.838
Solvation:-44.4264
Coulombic:-33.1152
Bond Count [?]
All:23
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.265
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):1.8

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Descriptor Annotations

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