Chemical ID: 5575497

CC1Cc2cc3ccccc3c(=O)n2C=C1
Chemical ID:
5575497
Name [?]:
None
SMILES [?]:
CC1Cc2cc3ccccc3c(=O)n2C=C1
InChi [?]:
InChI=1/C14H13NO/c1-10-6-7-15-12(8-10)9-11-4-2-3-5-13(11)14(15)16/h2-7,9-10H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,16,15,3,5,2,6,4,11,12,14,13/rA:16cCCCCCCCCCCCCONCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s2d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.79586
Area:370.525
Solvation:-1.46727
Coulombic:-18.0214
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.259
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.65
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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