Chemical ID: 4273077

c1cc2c(cc1Br)C(=NNC(=O)N)C(=O)N2
Chemical ID:
4273077
Name [?]:
(5-bromo-2-oxo-indolin-3-ylidene)aminourea
SMILES [?]:
c1cc2c(cc1Br)C(=NNC(=O)N)C(=O)N2
InChi [?]:
InChI=1/C9H7BrN4O2/c10-4-1-2-6-5(3-4)7(8(15)12-6)13-14-9(11)16/h1-3H,(H3,11,14,16)(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,14,11,7,13,16,9,10,15,12/rA:16nCCCCCCBrCNNCONCON/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;s10;d11;s11;s8;d14;s3s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7BrN4O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.41257
Area:402.073
Solvation:-2.63925
Coulombic:-59.109
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:283.082
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.06
LogP (Chemaxon):1.42

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