Chemical ID: 5529370

CN1c2ccccc2C(=Cc3cccc(c3)Cl)C1=O
Chemical ID:
5529370
Name [?]:
3-[(3-chlorophenyl)methylene]-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccccc2C(=Cc3cccc(c3)Cl)C1=O
InChi [?]:
InChI=1/C16H12ClNO/c1-18-15-8-3-2-7-13(15)14(16(18)19)10-11-5-4-6-12(17)9-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,13,12,14,7,4,16,10,11,15,8,9,3,18,17,2,19/rA:19nCNCCCCCCCCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s2s9;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.38364
Area:441.923
Solvation:-1.66445
Coulombic:-20.1021
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:269.725
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.87
LogP (Chemaxon):3.43

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Descriptor Annotations

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