Chemical ID: 4254724

c1ccc2c(c1)-c3c(cccn3)C2=O
Chemical ID:
4254724
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(cccn3)C2=O
InChi [?]:
InChI=1/C12H7NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,11,5,4,8,7,13,12,14/rA:14nCCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s8;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.6714
Area:337.889
Solvation:-1.77582
Coulombic:-14.8553
Bond Count [?]
All:16
Single:9
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:181.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.33
LogP (Chemaxon):1.99

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